data_4BOE # _entry.id 4BOE # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4BOE PDBE EBI-56907 WWPDB D_1290056907 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4BOE _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2013-05-19 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Roversi, P.' 1 'Johnson, S.' 2 'Preston, S.' 3 'Austyn, J.M.' 4 'Nuttall, P.' 5 'Lea, S.M.' 6 # _citation.id primary _citation.title 'Structural basis of cholesterol binding by a novel clade of dendritic cell modulators from ticks.' _citation.journal_abbrev 'Sci Rep' _citation.journal_volume 7 _citation.page_first 16057 _citation.page_last 16057 _citation.year 2017 _citation.journal_id_ASTM ? _citation.country UK _citation.journal_id_ISSN 2045-2322 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 29167574 _citation.pdbx_database_id_DOI 10.1038/s41598-017-16413-2 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Roversi, P.' 1 primary 'Johnson, S.' 2 primary 'Preston, S.G.' 3 primary 'Nunn, M.A.' 4 primary 'Paesen, G.C.' 5 primary 'Austyn, J.M.' 6 primary 'Nuttall, P.A.' 7 primary 'Lea, S.M.' 8 # _cell.entry_id 4BOE _cell.length_a 84.330 _cell.length_b 84.330 _cell.length_c 90.520 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4BOE _symmetry.space_group_name_H-M 'P 41 21 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 92 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man JAPANIN 18640.088 1 ? ? ? ? 2 non-polymer syn CHOLESTEROL 386.654 1 ? ? ? ? 3 non-polymer syn '(4S)-2-METHYL-2,4-PENTANEDIOL' 118.174 4 ? ? ? ? 4 non-polymer syn IMIDAZOLE 69.085 3 ? ? ? ? 5 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 3 ? ? ? ? 6 non-polymer man ALPHA-L-FUCOSE 164.156 1 ? ? ? ? 7 non-polymer man ALPHA-D-MANNOSE 180.156 1 ? ? ? ? 8 water nat water 18.015 89 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;TPSMPAINTQTLYLAGHSSKLFERNVGCVKTRYLNQTGDWVTRSLIYVFTFDTEPWVTQAGAFQVKWEPYSPLLRVKASD YVRDNLGAKPDYFIRTYDNDFLLLSDLKEVRSTCSLWVTLKYVDRIPETINRTFYTICPDPVPVPFDERCYPGGHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;TPSMPAINTQTLYLAGHSSKLFERNVGCVKTRYLNQTGDWVTRSLIYVFTFDTEPWVTQAGAFQVKWEPYSPLLRVKASD YVRDNLGAKPDYFIRTYDNDFLLLSDLKEVRSTCSLWVTLKYVDRIPETINRTFYTICPDPVPVPFDERCYPGGHHHHHH ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 THR n 1 2 PRO n 1 3 SER n 1 4 MET n 1 5 PRO n 1 6 ALA n 1 7 ILE n 1 8 ASN n 1 9 THR n 1 10 GLN n 1 11 THR n 1 12 LEU n 1 13 TYR n 1 14 LEU n 1 15 ALA n 1 16 GLY n 1 17 HIS n 1 18 SER n 1 19 SER n 1 20 LYS n 1 21 LEU n 1 22 PHE n 1 23 GLU n 1 24 ARG n 1 25 ASN n 1 26 VAL n 1 27 GLY n 1 28 CYS n 1 29 VAL n 1 30 LYS n 1 31 THR n 1 32 ARG n 1 33 TYR n 1 34 LEU n 1 35 ASN n 1 36 GLN n 1 37 THR n 1 38 GLY n 1 39 ASP n 1 40 TRP n 1 41 VAL n 1 42 THR n 1 43 ARG n 1 44 SER n 1 45 LEU n 1 46 ILE n 1 47 TYR n 1 48 VAL n 1 49 PHE n 1 50 THR n 1 51 PHE n 1 52 ASP n 1 53 THR n 1 54 GLU n 1 55 PRO n 1 56 TRP n 1 57 VAL n 1 58 THR n 1 59 GLN n 1 60 ALA n 1 61 GLY n 1 62 ALA n 1 63 PHE n 1 64 GLN n 1 65 VAL n 1 66 LYS n 1 67 TRP n 1 68 GLU n 1 69 PRO n 1 70 TYR n 1 71 SER n 1 72 PRO n 1 73 LEU n 1 74 LEU n 1 75 ARG n 1 76 VAL n 1 77 LYS n 1 78 ALA n 1 79 SER n 1 80 ASP n 1 81 TYR n 1 82 VAL n 1 83 ARG n 1 84 ASP n 1 85 ASN n 1 86 LEU n 1 87 GLY n 1 88 ALA n 1 89 LYS n 1 90 PRO n 1 91 ASP n 1 92 TYR n 1 93 PHE n 1 94 ILE n 1 95 ARG n 1 96 THR n 1 97 TYR n 1 98 ASP n 1 99 ASN n 1 100 ASP n 1 101 PHE n 1 102 LEU n 1 103 LEU n 1 104 LEU n 1 105 SER n 1 106 ASP n 1 107 LEU n 1 108 LYS n 1 109 GLU n 1 110 VAL n 1 111 ARG n 1 112 SER n 1 113 THR n 1 114 CYS n 1 115 SER n 1 116 LEU n 1 117 TRP n 1 118 VAL n 1 119 THR n 1 120 LEU n 1 121 LYS n 1 122 TYR n 1 123 VAL n 1 124 ASP n 1 125 ARG n 1 126 ILE n 1 127 PRO n 1 128 GLU n 1 129 THR n 1 130 ILE n 1 131 ASN n 1 132 ARG n 1 133 THR n 1 134 PHE n 1 135 TYR n 1 136 THR n 1 137 ILE n 1 138 CYS n 1 139 PRO n 1 140 ASP n 1 141 PRO n 1 142 VAL n 1 143 PRO n 1 144 VAL n 1 145 PRO n 1 146 PHE n 1 147 ASP n 1 148 GLU n 1 149 ARG n 1 150 CYS n 1 151 TYR n 1 152 PRO n 1 153 GLY n 1 154 GLY n 1 155 HIS n 1 156 HIS n 1 157 HIS n 1 158 HIS n 1 159 HIS n 1 160 HIS n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name 'BROWN EAR TICK' _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'RHIPICEPHALUS APPENDICULATUS' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 34631 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name 'FALL ARMYWORM' _entity_src_gen.pdbx_host_org_scientific_name 'SPODOPTERA FRUGIPERDA' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line SF9 _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type BACULOVIRUS _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code M1MR49_RHIAP _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession M1MR49 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4BOE _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 152 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession M1MR49 _struct_ref_seq.db_align_beg 25 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 176 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 152 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 4BOE GLY A 153 ? UNP M1MR49 ? ? 'expression tag' 153 1 1 4BOE GLY A 154 ? UNP M1MR49 ? ? 'expression tag' 154 2 1 4BOE HIS A 155 ? UNP M1MR49 ? ? 'expression tag' 155 3 1 4BOE HIS A 156 ? UNP M1MR49 ? ? 'expression tag' 156 4 1 4BOE HIS A 157 ? UNP M1MR49 ? ? 'expression tag' 157 5 1 4BOE HIS A 158 ? UNP M1MR49 ? ? 'expression tag' 158 6 1 4BOE HIS A 159 ? UNP M1MR49 ? ? 'expression tag' 159 7 1 4BOE HIS A 160 ? UNP M1MR49 ? ? 'expression tag' 160 8 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CLR non-polymer . CHOLESTEROL ? 'C27 H46 O' 386.654 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 IMD non-polymer . IMIDAZOLE ? 'C3 H5 N2 1' 69.085 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 MPD non-polymer . '(4S)-2-METHYL-2,4-PENTANEDIOL' ? 'C6 H14 O2' 118.174 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4BOE _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 4.24 _exptl_crystal.density_percent_sol 71 _exptl_crystal.description 'THE SEARCH MODEL WAS PREPARED WITH THE PROGRAM CHAINSAW' # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.0 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '0.1 M IMIDAZOLE PH 7.0 AND 50% V/V 1-METHYL-PENTAN-(2,4)DIOL (MPD).' # _diffrn.id 1 _diffrn.ambient_temp 120 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC CCD' _diffrn_detector.pdbx_collection_date 2010-04-28 _diffrn_detector.details 'CYLINDRICAL GRAZING INCIDENCE MIRROR' # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'SI CRYSTAL' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9600 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE ID29' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline ID29 _diffrn_source.pdbx_wavelength 0.9600 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4BOE _reflns.observed_criterion_sigma_I 0.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 84.30 _reflns.d_resolution_high 2.20 _reflns.number_obs 16985 _reflns.number_all ? _reflns.percent_possible_obs 98.9 _reflns.pdbx_Rmerge_I_obs 0.08 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 15.20 _reflns.B_iso_Wilson_estimate 45.43 _reflns.pdbx_redundancy 8.6 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.20 _reflns_shell.d_res_low 2.30 _reflns_shell.percent_possible_all 93.2 _reflns_shell.Rmerge_I_obs 0.62 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.20 _reflns_shell.pdbx_redundancy 4.5 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4BOE _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 16158 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 61.70 _refine.ls_d_res_high 2.24 _refine.ls_percent_reflns_obs 99.30 _refine.ls_R_factor_obs 0.1794 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1784 _refine.ls_R_factor_R_free 0.1977 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.03 _refine.ls_number_reflns_R_free 812 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.9440 _refine.correlation_coeff_Fo_to_Fc_free 0.9395 _refine.B_iso_mean 46.31 _refine.aniso_B[1][1] -2.3529 _refine.aniso_B[2][2] -2.3529 _refine.aniso_B[3][3] 4.7057 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][3] 0.0000 _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 'PDB ENTRY 1QFT' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI 0.231 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI 0.135 _refine.pdbx_overall_SU_R_Blow_DPI 0.158 _refine.pdbx_overall_SU_R_free_Blow_DPI 0.136 # _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.entry_id 4BOE _refine_analyze.Luzzati_coordinate_error_obs 0.218 _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1257 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 138 _refine_hist.number_atoms_solvent 89 _refine_hist.number_atoms_total 1484 _refine_hist.d_res_high 2.24 _refine_hist.d_res_low 61.70 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function t_bond_d 0.010 ? 2.00 2869 'X-RAY DIFFRACTION' HARMONIC t_angle_deg 1.05 ? 2.00 5181 'X-RAY DIFFRACTION' HARMONIC t_dihedral_angle_d ? ? 2.00 655 'X-RAY DIFFRACTION' SINUSOIDAL t_incorr_chiral_ct ? ? ? ? 'X-RAY DIFFRACTION' ? t_pseud_angle ? ? ? ? 'X-RAY DIFFRACTION' ? t_trig_c_planes ? ? 2.00 27 'X-RAY DIFFRACTION' HARMONIC t_gen_planes ? ? 5.00 402 'X-RAY DIFFRACTION' HARMONIC t_it ? ? 20.00 2869 'X-RAY DIFFRACTION' HARMONIC t_nbd ? ? 5.00 4 'X-RAY DIFFRACTION' SEMIHARMONIC t_omega_torsion 4.08 ? ? ? 'X-RAY DIFFRACTION' ? t_other_torsion 14.44 ? ? ? 'X-RAY DIFFRACTION' ? t_improper_torsion ? ? ? ? 'X-RAY DIFFRACTION' ? t_chiral_improper_torsion ? ? 5.00 208 'X-RAY DIFFRACTION' SEMIHARMONIC t_sum_occupancies ? ? ? ? 'X-RAY DIFFRACTION' ? t_utility_distance ? ? ? ? 'X-RAY DIFFRACTION' ? t_utility_angle ? ? ? ? 'X-RAY DIFFRACTION' ? t_utility_torsion ? ? ? ? 'X-RAY DIFFRACTION' ? t_ideal_dist_contact ? ? 4.00 3038 'X-RAY DIFFRACTION' SEMIHARMONIC # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 8 _refine_ls_shell.d_res_high 2.24 _refine_ls_shell.d_res_low 2.40 _refine_ls_shell.number_reflns_R_work 2613 _refine_ls_shell.R_factor_R_work 0.1822 _refine_ls_shell.percent_reflns_obs 99.30 _refine_ls_shell.R_factor_R_free 0.2226 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free 5.70 _refine_ls_shell.number_reflns_R_free 158 _refine_ls_shell.number_reflns_all 2771 _refine_ls_shell.R_factor_all 0.1844 # _struct.entry_id 4BOE _struct.title 'Japanin from Rhipicephalus appendiculatus bound to cholesterol: Tetragonal crystal form' _struct.pdbx_descriptor JAPANIN _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4BOE _struct_keywords.pdbx_keywords 'CHOLESTEROL BINDING PROTEIN' _struct_keywords.text 'CHOLESTEROL BINDING PROTEIN, TICK' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 4 ? F N N 4 ? G N N 3 ? H N N 3 ? I N N 4 ? J N N 5 ? K N N 5 ? L N N 6 ? M N N 5 ? N N N 7 ? O N N 8 ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 MET A 4 ? ASN A 8 ? MET A 4 ASN A 8 5 ? 5 HELX_P HELX_P2 2 LYS A 20 ? PHE A 22 ? LYS A 20 PHE A 22 5 ? 3 HELX_P HELX_P3 3 SER A 79 ? LEU A 86 ? SER A 79 LEU A 86 1 ? 8 HELX_P HELX_P4 4 LEU A 120 ? VAL A 123 ? LEU A 120 VAL A 123 5 ? 4 HELX_P HELX_P5 5 PRO A 127 ? CYS A 138 ? PRO A 127 CYS A 138 1 ? 12 HELX_P HELX_P6 6 ASP A 147 ? TYR A 151 ? ASP A 147 TYR A 151 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 28 SG ? ? ? 1_555 A CYS 150 SG ? ? A CYS 28 A CYS 150 1_555 ? ? ? ? ? ? ? 2.057 ? disulf2 disulf ? ? A CYS 114 SG A ? ? 1_555 A CYS 138 SG A ? A CYS 114 A CYS 138 1_555 ? ? ? ? ? ? ? 2.056 ? disulf3 disulf ? ? A CYS 114 SG B ? ? 1_555 A CYS 138 SG B ? A CYS 114 A CYS 138 1_555 ? ? ? ? ? ? ? 2.043 ? covale1 covale ? ? A ASN 35 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 35 A NAG 1035 1_555 ? ? ? ? ? ? ? 1.434 ? covale2 covale ? ? A ASN 131 ND2 ? ? ? 1_555 K NAG . C1 ? ? A ASN 131 A NAG 1131 1_555 ? ? ? ? ? ? ? 1.433 ? covale3 covale ? ? K NAG . O4 ? ? ? 1_555 M NAG . C1 ? ? A NAG 1131 A NAG 1133 1_555 ? ? ? ? ? ? ? 1.424 ? covale4 covale ? ? L FUC . C1 ? ? ? 1_555 K NAG . O6 ? ? A FUC 1132 A NAG 1131 1_555 ? ? ? ? ? ? ? 1.407 ? covale5 covale ? ? N MAN . C1 ? ? ? 1_555 M NAG . O4 ? ? A MAN 1134 A NAG 1133 1_555 ? ? ? ? ? ? ? 1.428 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # _struct_sheet.id AA _struct_sheet.type ? _struct_sheet.number_strands 10 _struct_sheet.details ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA 1 2 ? anti-parallel AA 2 3 ? anti-parallel AA 3 4 ? anti-parallel AA 4 5 ? anti-parallel AA 5 6 ? anti-parallel AA 6 7 ? anti-parallel AA 7 8 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA 1 LEU A 12 ? SER A 18 ? LEU A 12 SER A 18 AA 2 VAL A 26 ? THR A 37 ? VAL A 26 THR A 37 AA 3 TRP A 40 ? PHE A 49 ? TRP A 40 PHE A 49 AA 4 GLN A 59 ? LYS A 66 ? GLN A 59 LYS A 66 AA 5 LEU A 73 ? ALA A 78 ? LEU A 73 ALA A 78 AA 6 ASP A 91 ? ASP A 98 ? ASP A 91 ASP A 98 AA 7 PHE A 101 ? ASP A 106 ? PHE A 101 ASP A 106 AA 8 CYS A 114 ? VAL A 118 ? CYS A 114 VAL A 118 AA 9 LEU A 12 ? SER A 18 ? LEU A 12 SER A 18 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA 1 2 N LEU A 14 ? N LEU A 14 O VAL A 29 ? O VAL A 29 AA 2 3 N THR A 37 ? N THR A 37 O TRP A 40 ? O TRP A 40 AA 3 4 N TYR A 47 ? N TYR A 47 O GLN A 59 ? O GLN A 59 AA 4 5 N LYS A 66 ? N LYS A 66 O ARG A 75 ? O ARG A 75 AA 5 6 N LEU A 74 ? N LEU A 74 O TYR A 92 ? O TYR A 92 AA 6 7 N ASP A 98 ? N ASP A 98 O PHE A 101 ? O PHE A 101 AA 7 8 N LEU A 104 ? N LEU A 104 O SER A 115 ? O SER A 115 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE CLR A 575' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MPD A 576' AC3 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MPD A 577' AC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE IMD A 579' AC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE IMD A 582' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MPD A 586' AC7 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MPD A 587' AC8 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE IMD A 589' AC9 Software ? ? ? ? 2 'Binding site for Mono-Saccharide NAG A1035 bound to ASN A 35' BC1 Software ? ? ? ? 9 'Binding site for Poly-Saccharide residues NAG A1131 through MAN A1134 bound to ASN A 131' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 7 LEU A 21 ? LEU A 21 . ? 1_555 ? 2 AC1 7 PHE A 22 ? PHE A 22 . ? 1_555 ? 3 AC1 7 GLU A 23 ? GLU A 23 . ? 1_555 ? 4 AC1 7 PHE A 63 ? PHE A 63 . ? 1_555 ? 5 AC1 7 LEU A 86 ? LEU A 86 . ? 1_555 ? 6 AC1 7 TRP A 117 ? TRP A 117 . ? 1_555 ? 7 AC1 7 HOH O . ? HOH A 2018 . ? 1_555 ? 8 AC2 5 GLN A 10 ? GLN A 10 . ? 1_555 ? 9 AC2 5 VAL A 26 ? VAL A 26 . ? 4_454 ? 10 AC2 5 PHE A 49 ? PHE A 49 . ? 4_454 ? 11 AC2 5 ASN A 85 ? ASN A 85 . ? 4_454 ? 12 AC2 5 ASP A 100 ? ASP A 100 . ? 1_555 ? 13 AC3 8 LEU A 14 ? LEU A 14 . ? 1_555 ? 14 AC3 8 ALA A 15 ? ALA A 15 . ? 1_555 ? 15 AC3 8 VAL A 123 ? VAL A 123 . ? 1_555 ? 16 AC3 8 VAL A 144 ? VAL A 144 . ? 1_555 ? 17 AC3 8 PRO A 145 ? PRO A 145 . ? 1_555 ? 18 AC3 8 PHE A 146 ? PHE A 146 . ? 1_555 ? 19 AC3 8 ASP A 147 ? ASP A 147 . ? 1_555 ? 20 AC3 8 TYR A 151 ? TYR A 151 . ? 1_555 ? 21 AC4 2 VAL A 48 ? VAL A 48 . ? 1_555 ? 22 AC4 2 THR A 58 ? THR A 58 . ? 1_555 ? 23 AC5 2 ARG A 32 ? ARG A 32 . ? 3_555 ? 24 AC5 2 THR A 53 ? THR A 53 . ? 1_555 ? 25 AC6 3 PHE A 51 ? PHE A 51 . ? 4_454 ? 26 AC6 3 ASP A 124 ? ASP A 124 . ? 1_555 ? 27 AC6 3 HOH O . ? HOH A 2067 . ? 1_555 ? 28 AC7 5 GLN A 64 ? GLN A 64 . ? 1_555 ? 29 AC7 5 LYS A 77 ? LYS A 77 . ? 1_555 ? 30 AC7 5 ALA A 78 ? ALA A 78 . ? 1_555 ? 31 AC7 5 SER A 79 ? SER A 79 . ? 1_555 ? 32 AC7 5 HOH O . ? HOH A 2046 . ? 1_555 ? 33 AC8 2 ASP A 80 ? ASP A 80 . ? 1_555 ? 34 AC8 2 ARG A 83 ? ARG A 83 . ? 1_555 ? 35 AC9 2 ASN A 35 ? ASN A 35 . ? 1_555 ? 36 AC9 2 THR A 37 ? THR A 37 . ? 1_555 ? 37 BC1 9 ASP A 80 ? ASP A 80 . ? 5_545 ? 38 BC1 9 ARG A 83 ? ARG A 83 . ? 5_545 ? 39 BC1 9 ASN A 131 ? ASN A 131 . ? 1_555 ? 40 BC1 9 TYR A 135 ? TYR A 135 . ? 1_555 ? 41 BC1 9 HOH O . ? HOH A 2074 . ? 1_555 ? 42 BC1 9 HOH O . ? HOH A 2084 . ? 1_555 ? 43 BC1 9 HOH O . ? HOH A 2085 . ? 1_555 ? 44 BC1 9 HOH O . ? HOH A 2087 . ? 1_555 ? 45 BC1 9 HOH O . ? HOH A 2088 . ? 1_555 ? # _database_PDB_matrix.entry_id 4BOE _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4BOE _atom_sites.fract_transf_matrix[1][1] 0.011858 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.011858 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.011047 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C H N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . THR A 1 1 ? 10.334 23.995 -12.638 1.00 44.81 ? 1 THR A N 1 ATOM 2 C CA . THR A 1 1 ? 10.963 23.678 -11.355 1.00 45.34 ? 1 THR A CA 1 ATOM 3 C C . THR A 1 1 ? 10.248 24.395 -10.179 1.00 45.35 ? 1 THR A C 1 ATOM 4 O O . THR A 1 1 ? 9.526 25.369 -10.410 1.00 41.40 ? 1 THR A O 1 ATOM 5 C CB . THR A 1 1 ? 12.474 24.019 -11.413 1.00 61.41 ? 1 THR A CB 1 ATOM 6 O OG1 . THR A 1 1 ? 12.645 25.428 -11.578 1.00 66.78 ? 1 THR A OG1 1 ATOM 7 C CG2 . THR A 1 1 ? 13.215 23.266 -12.535 1.00 59.95 ? 1 THR A CG2 1 ATOM 8 H H1 . THR A 1 1 ? 10.161 22.615 -13.446 1.00 27.35 ? 1 THR A H1 1 ATOM 9 H H2 . THR A 1 1 ? 9.081 24.943 -12.405 1.00 68.45 ? 1 THR A H2 1 ATOM 10 H H3 . THR A 1 1 ? 10.989 25.757 -12.948 1.00 4.51 ? 1 THR A H3 1 ATOM 11 H HA . THR A 1 1 ? 10.866 22.604 -11.214 1.00 45.73 ? 1 THR A HA 1 ATOM 12 H HB . THR A 1 1 ? 12.934 23.732 -10.469 1.00 61.58 ? 1 THR A HB 1 ATOM 13 H HG1 . THR A 1 1 ? 13.612 25.648 -11.626 1.00 67.00 ? 1 THR A HG1 1 ATOM 14 H HG21 . THR A 1 1 ? 12.837 23.565 -13.511 1.00 60.26 ? 1 THR A HG21 1 ATOM 15 H HG22 . THR A 1 1 ? 14.278 23.500 -12.491 1.00 59.93 ? 1 THR A HG22 1 ATOM 16 H HG23 . THR A 1 1 ? 13.083 22.191 -12.420 1.00 59.43 ? 1 THR A HG23 1 ATOM 17 N N . PRO A 1 2 ? 10.455 23.929 -8.925 1.00 42.86 ? 2 PRO A N 1 ATOM 18 C CA . PRO A 1 2 ? 9.841 24.572 -7.754 1.00 42.99 ? 2 PRO A CA 1 ATOM 19 C C . PRO A 1 2 ? 10.173 26.036 -7.613 1.00 46.40 ? 2 PRO A C 1 ATOM 20 O O . PRO A 1 2 ? 11.220 26.504 -8.080 1.00 44.63 ? 2 PRO A O 1 ATOM 21 C CB . PRO A 1 2 ? 10.386 23.761 -6.573 1.00 45.00 ? 2 PRO A CB 1 ATOM 22 C CG . PRO A 1 2 ? 10.600 22.433 -7.125 1.00 49.63 ? 2 PRO A CG 1 ATOM 23 C CD . PRO A 1 2 ? 11.115 22.673 -8.527 1.00 45.15 ? 2 PRO A CD 1 ATOM 24 H HA . PRO A 1 2 ? 8.760 24.453 -7.801 1.00 43.68 ? 2 PRO A HA 1 ATOM 25 H HB2 . PRO A 1 2 ? 11.325 24.184 -6.220 1.00 44.73 ? 2 PRO A HB2 1 ATOM 26 H HB3 . PRO A 1 2 ? 9.647 23.728 -5.773 1.00 45.06 ? 2 PRO A HB3 1 ATOM 27 H HG2 . PRO A 1 2 ? 11.325 21.900 -6.512 1.00 49.95 ? 2 PRO A HG2 1 ATOM 28 H HG3 . PRO A 1 2 ? 9.654 21.897 -7.160 1.00 48.69 ? 2 PRO A HG3 1 ATOM 29 H HD2 . PRO A 1 2 ? 12.194 22.814 -8.514 1.00 45.22 ? 2 PRO A HD2 1 ATOM 30 H HD3 . PRO A 1 2 ? 10.821 21.848 -9.174 1.00 45.94 ? 2 PRO A HD3 1 ATOM 31 N N . SER A 1 3 ? 9.263 26.767 -6.971 1.00 43.96 ? 3 SER A N 1 ATOM 32 C CA . SER A 1 3 ? 9.425 28.210 -6.762 1.00 43.84 ? 3 SER A CA 1 ATOM 33 C C . SER A 1 3 ? 10.244 28.450 -5.451 1.00 46.46 ? 3 SER A C 1 ATOM 34 O O . SER A 1 3 ? 9.975 27.775 -4.466 1.00 44.70 ? 3 SER A O 1 ATOM 35 C CB . SER A 1 3 ? 8.051 28.878 -6.730 1.00 44.83 ? 3 SER A CB 1 ATOM 36 O OG . SER A 1 3 ? 7.487 28.843 -8.038 1.00 52.81 ? 3 SER A OG 1 ATOM 37 H H . SER A 1 3 ? 8.419 26.381 -6.559 1.00 43.54 ? 3 SER A H 1 ATOM 38 H HA . SER A 1 3 ? 9.973 28.652 -7.593 1.00 43.88 ? 3 SER A HA 1 ATOM 39 H HB2 . SER A 1 3 ? 7.397 28.352 -6.036 1.00 43.14 ? 3 SER A HB2 1 ATOM 40 H HB3 . SER A 1 3 ? 8.164 29.911 -6.408 1.00 45.10 ? 3 SER A HB3 1 ATOM 41 H HG . SER A 1 3 ? 7.352 27.912 -8.356 1.00 52.31 ? 3 SER A HG 1 ATOM 42 N N . MET A 1 4 ? 11.266 29.364 -5.472 1.00 42.39 ? 4 MET A N 1 ATOM 43 C CA . MET A 1 4 ? 12.125 29.647 -4.306 1.00 41.12 ? 4 MET A CA 1 ATOM 44 C C . MET A 1 4 ? 11.303 30.387 -3.214 1.00 41.69 ? 4 MET A C 1 ATOM 45 O O . MET A 1 4 ? 10.859 31.508 -3.451 1.00 42.50 ? 4 MET A O 1 ATOM 46 C CB . MET A 1 4 ? 13.432 30.373 -4.719 1.00 44.45 ? 4 MET A CB 1 ATOM 47 C CG . MET A 1 4 ? 13.993 31.420 -3.684 1.00 49.61 ? 4 MET A CG 1 ATOM 48 S SD . MET A 1 4 ? 14.694 30.702 -2.241 1.00 52.53 ? 4 MET A SD 1 ATOM 49 C CE . MET A 1 4 ? 16.187 31.431 -2.167 1.00 49.72 ? 4 MET A CE 1 ATOM 50 H H . MET A 1 4 ? 11.489 29.912 -6.297 1.00 42.52 ? 4 MET A H 1 ATOM 51 H HA . MET A 1 4 ? 12.465 28.684 -3.935 1.00 41.28 ? 4 MET A HA 1 ATOM 52 H HB2 . MET A 1 4 ? 14.209 29.620 -4.838 1.00 42.91 ? 4 MET A HB2 1 ATOM 53 H HB3 . MET A 1 4 ? 13.277 30.897 -5.661 1.00 44.14 ? 4 MET A HB3 1 ATOM 54 H HG2 . MET A 1 4 ? 14.773 32.013 -4.156 1.00 51.16 ? 4 MET A HG2 1 ATOM 55 H HG3 . MET A 1 4 ? 13.217 32.099 -3.339 1.00 49.35 ? 4 MET A HG3 1 ATOM 56 H HE1 . MET A 1 4 ? 16.035 32.507 -2.103 1.00 49.69 ? 4 MET A HE1 1 ATOM 57 H HE2 . MET A 1 4 ? 16.719 31.060 -1.293 1.00 48.83 ? 4 MET A HE2 1 ATOM 58 H HE3 . MET A 1 4 ? 16.739 31.183 -3.072 1.00 50.70 ? 4 MET A HE3 1 ATOM 59 N N . PRO A 1 5 ? 11.080 29.764 -2.032 1.00 34.97 ? 5 PRO A N 1 ATOM 60 C CA . PRO A 1 5 ? 10.203 30.356 -1.010 1.00 34.25 ? 5 PRO A CA 1 ATOM 61 C C . PRO A 1 5 ? 10.563 31.753 -0.428 1.00 35.43 ? 5 PRO A C 1 ATOM 62 O O . PRO A 1 5 ? 9.635 32.501 -0.057 1.00 33.48 ? 5 PRO A O 1 ATOM 63 C CB . PRO A 1 5 ? 10.186 29.310 0.094 1.00 35.63 ? 5 PRO A CB 1 ATOM 64 C CG . PRO A 1 5 ? 10.709 28.120 -0.474 1.00 39.96 ? 5 PRO A CG 1 ATOM 65 C CD . PRO A 1 5 ? 11.640 28.491 -1.549 1.00 35.36 ? 5 PRO A CD 1 ATOM 66 H HA . PRO A 1 5 ? 9.191 30.422 -1.407 1.00 35.54 ? 5 PRO A HA 1 ATOM 67 H HB2 . PRO A 1 5 ? 10.803 29.627 0.933 1.00 36.04 ? 5 PRO A HB2 1 ATOM 68 H HB3 . PRO A 1 5 ? 9.152 29.152 0.391 1.00 35.31 ? 5 PRO A HB3 1 ATOM 69 H HG2 . PRO A 1 5 ? 11.233 27.565 0.302 1.00 39.86 ? 5 PRO A HG2 1 ATOM 70 H HG3 . PRO A 1 5 ? 9.871 27.547 -0.866 1.00 39.61 ? 5 PRO A HG3 1 ATOM 71 H HD2 . PRO A 1 5 ? 12.646 28.639 -1.159 1.00 34.68 ? 5 PRO A HD2 1 ATOM 72 H HD3 . PRO A 1 5 ? 11.613 27.715 -2.311 1.00 34.34 ? 5 PRO A HD3 1 ATOM 73 N N . ALA A 1 6 ? 11.867 32.063 -0.295 1.00 29.94 ? 6 ALA A N 1 ATOM 74 C CA . ALA A 1 6 ? 12.354 33.335 0.249 1.00 29.74 ? 6 ALA A CA 1 ATOM 75 C C . ALA A 1 6 ? 11.832 34.573 -0.487 1.00 34.92 ? 6 ALA A C 1 ATOM 76 O O . ALA A 1 6 ? 11.514 35.577 0.149 1.00 32.97 ? 6 ALA A O 1 ATOM 77 C CB . ALA A 1 6 ? 13.855 33.349 0.250 1.00 29.71 ? 6 ALA A CB 1 ATOM 78 H H . ALA A 1 6 ? 12.610 31.417 -0.540 1.00 30.53 ? 6 ALA A H 1 ATOM 79 H HA . ALA A 1 6 ? 12.024 33.410 1.284 1.00 30.83 ? 6 ALA A HA 1 ATOM 80 H HB1 . ALA A 1 6 ? 14.220 32.438 0.721 1.00 29.61 ? 6 ALA A HB1 1 ATOM 81 H HB2 . ALA A 1 6 ? 14.210 33.403 -0.777 1.00 31.20 ? 6 ALA A HB2 1 ATOM 82 H HB3 . ALA A 1 6 ? 14.190 34.225 0.802 1.00 30.53 ? 6 ALA A HB3 1 ATOM 83 N N . ILE A 1 7 ? 11.698 34.487 -1.825 1.00 32.24 ? 7 ILE A N 1 ATOM 84 C CA . ILE A 1 7 ? 11.207 35.596 -2.673 1.00 31.58 ? 7 ILE A CA 1 ATOM 85 C C . ILE A 1 7 ? 9.771 35.392 -3.132 1.00 36.95 ? 7 ILE A C 1 ATOM 86 O O . ILE A 1 7 ? 9.254 36.181 -3.920 1.00 39.62 ? 7 ILE A O 1 ATOM 87 C CB . ILE A 1 7 ? 12.186 35.828 -3.843 1.00 34.94 ? 7 ILE A CB 1 ATOM 88 C CG1 . ILE A 1 7 ? 12.382 34.537 -4.718 1.00 37.21 ? 7 ILE A CG1 1 ATOM 89 C CG2 . ILE A 1 7 ? 13.523 36.296 -3.283 1.00 33.17 ? 7 ILE A CG2 1 ATOM 90 C CD1 . ILE A 1 7 ? 12.648 34.791 -6.079 1.00 41.86 ? 7 ILE A CD1 1 ATOM 91 H H . ILE A 1 7 ? 11.916 33.642 -2.343 1.00 32.98 ? 7 ILE A H 1 ATOM 92 H HA . ILE A 1 7 ? 11.199 36.520 -2.096 1.00 31.40 ? 7 ILE A HA 1 ATOM 93 H HB . ILE A 1 7 ? 11.795 36.624 -4.475 1.00 34.66 ? 7 ILE A HB 1 ATOM 94 H HG12 . ILE A 1 7 ? 13.264 34.018 -4.348 1.00 37.17 ? 7 ILE A HG12 1 ATOM 95 H HG13 . ILE A 1 7 ? 11.509 33.888 -4.666 1.00 36.23 ? 7 ILE A HG13 1 ATOM 96 H HG21 . ILE A 1 7 ? 13.910 35.547 -2.596 1.00 32.78 ? 7 ILE A HG21 1 ATOM 97 H HG22 . ILE A 1 7 ? 14.219 36.431 -4.109 1.00 33.41 ? 7 ILE A HG22 1 ATOM 98 H HG23 . ILE A 1 7 ? 13.383 37.238 -2.755 1.00 32.55 ? 7 ILE A HG23 1 ATOM 99 H HD11 . ILE A 1 7 ? 13.550 35.396 -6.152 1.00 41.38 ? 7 ILE A HD11 1 ATOM 100 H HD12 . ILE A 1 7 ? 12.787 33.840 -6.592 1.00 42.04 ? 7 ILE A HD12 1 ATOM 101 H HD13 . ILE A 1 7 ? 11.800 35.325 -6.504 1.00 41.87 ? 7 ILE A HD13 1 ATOM 102 N N . ASN A 1 8 ? 9.093 34.408 -2.546 1.00 32.67 ? 8 ASN A N 1 ATOM 103 C CA . ASN A 1 8 ? 7.724 34.077 -2.819 1.00 31.97 ? 8 ASN A CA 1 ATOM 104 C C . ASN A 1 8 ? 6.839 34.722 -1.755 1.00 35.39 ? 8 ASN A C 1 ATOM 105 O O . ASN A 1 8 ? 7.333 35.235 -0.745 1.00 34.64 ? 8 ASN A O 1 ATOM 106 C CB . ASN A 1 8 ? 7.527 32.552 -2.859 1.00 36.71 ? 8 ASN A CB 1 ATOM 107 C CG . ASN A 1 8 ? 6.464 32.103 -3.839 1.00 50.62 ? 8 ASN A CG 1 ATOM 108 O OD1 . ASN A 1 8 ? 5.759 32.911 -4.417 1.00 38.68 ? 8 ASN A OD1 1 ATOM 109 N ND2 . ASN A 1 8 ? 6.297 30.819 -4.010 1.00 51.14 ? 8 ASN A ND2 1 ATOM 110 H H . ASN A 1 8 ? 9.460 33.823 -1.805 1.00 33.38 ? 8 ASN A H 1 ATOM 111 H HA . ASN A 1 8 ? 7.452 34.492 -3.787 1.00 33.12 ? 8 ASN A HA 1 ATOM 112 H HB2 . ASN A 1 8 ? 8.467 32.085 -3.146 1.00 36.30 ? 8 ASN A HB2 1 ATOM 113 H HB3 . ASN A 1 8 ? 7.224 32.200 -1.875 1.00 36.33 ? 8 ASN A HB3 1 ATOM 114 H HD21 . ASN A 1 8 ? 6.870 30.159 -3.492 1.00 52.22 ? 8 ASN A HD21 1 ATOM 115 H HD22 . ASN A 1 8 ? 5.594 30.477 -4.656 1.00 51.59 ? 8 ASN A HD22 1 ATOM 116 N N . THR A 1 9 ? 5.536 34.707 -2.000 1.00 32.21 ? 9 THR A N 1 ATOM 117 C CA . THR A 1 9 ? 4.535 35.415 -1.207 1.00 31.49 ? 9 THR A CA 1 ATOM 118 C C . THR A 1 9 ? 3.907 34.646 -0.060 1.00 33.57 ? 9 THR A C 1 ATOM 119 O O . THR A 1 9 ? 3.079 35.217 0.663 1.00 32.85 ? 9 THR A O 1 ATOM 120 C CB . THR A 1 9 ? 3.455 35.947 -2.161 1.00 36.00 ? 9 THR A CB 1 ATOM 121 O OG1 . THR A 1 9 ? 2.937 34.867 -2.945 1.00 36.42 ? 9 THR A OG1 1 ATOM 122 C CG2 . THR A 1 9 ? 3.988 37.022 -3.092 1.00 29.82 ? 9 THR A CG2 1 ATOM 123 H H . THR A 1 9 ? 5.126 34.219 -2.790 1.00 32.51 ? 9 THR A H 1 ATOM 124 H HA . THR A 1 9 ? 5.006 36.292 -0.770 1.00 32.71 ? 9 THR A HA 1 ATOM 125 H HB . THR A 1 9 ? 2.645 36.389 -1.583 1.00 36.43 ? 9 THR A HB 1 ATOM 126 H HG1 . THR A 1 9 ? 3.133 34.992 -3.911 1.00 36.33 ? 9 THR A HG1 1 ATOM 127 H HG21 . THR A 1 9 ? 4.810 36.637 -3.692 1.00 29.27 ? 9 THR A HG21 1 ATOM 128 H HG22 . THR A 1 9 ? 3.185 37.368 -3.741 1.00 28.94 ? 9 THR A HG22 1 ATOM 129 H HG23 . THR A 1 9 ? 4.353 37.866 -2.512 1.00 30.68 ? 9 THR A HG23 1 ATOM 130 N N . GLN A 1 10 ? 4.308 33.404 0.169 1.00 31.14 ? 10 GLN A N 1 ATOM 131 C CA . GLN A 1 10 ? 3.767 32.642 1.307 1.00 30.74 ? 10 GLN A CA 1 ATOM 132 C C . GLN A 1 10 ? 4.571 32.911 2.574 1.00 32.08 ? 10 GLN A C 1 ATOM 133 O O . GLN A 1 10 ? 5.774 33.129 2.521 1.00 30.88 ? 10 GLN A O 1 ATOM 134 C CB . GLN A 1 10 ? 3.753 31.135 1.022 1.00 32.93 ? 10 GLN A CB 1 ATOM 135 C CG . GLN A 1 10 ? 2.535 30.701 0.199 1.00 51.13 ? 10 GLN A CG 1 ATOM 136 C CD . GLN A 1 10 ? 1.231 30.656 0.982 1.00 71.31 ? 10 GLN A CD 1 ATOM 137 O OE1 . GLN A 1 10 ? 1.184 30.462 2.213 1.00 66.25 ? 10 GLN A OE1 1 ATOM 138 N NE2 . GLN A 1 10 ? 0.133 30.768 0.270 1.00 56.66 ? 10 GLN A NE2 1 ATOM 139 H H . GLN A 1 10 ? 5.004 32.907 -0.377 1.00 32.22 ? 10 GLN A H 1 ATOM 140 H HA . GLN A 1 10 ? 2.738 32.947 1.489 1.00 29.95 ? 10 GLN A HA 1 ATOM 141 H HB2 . GLN A 1 10 ? 4.647 30.864 0.465 1.00 33.13 ? 10 GLN A HB2 1 ATOM 142 H HB3 . GLN A 1 10 ? 3.743 30.588 1.965 1.00 32.67 ? 10 GLN A HB3 1 ATOM 143 H HG2 . GLN A 1 10 ? 2.421 31.397 -0.630 1.00 51.05 ? 10 GLN A HG2 1 ATOM 144 H HG3 . GLN A 1 10 ? 2.697 29.700 -0.192 1.00 50.97 ? 10 GLN A HG3 1 ATOM 145 H HE21 . GLN A 1 10 ? 0.176 30.865 -0.740 1.00 56.65 ? 10 GLN A HE21 1 ATOM 146 H HE22 . GLN A 1 10 ? -0.766 30.714 0.730 1.00 56.65 ? 10 GLN A HE22 1 ATOM 147 N N . THR A 1 11 ? 3.897 32.890 3.710 1.00 28.81 ? 11 THR A N 1 ATOM 148 C CA . THR A 1 11 ? 4.533 33.076 5.010 1.00 28.21 ? 11 THR A CA 1 ATOM 149 C C . THR A 1 11 ? 5.385 31.861 5.316 1.00 31.21 ? 11 THR A C 1 ATOM 150 O O . THR A 1 11 ? 4.950 30.740 5.063 1.00 30.29 ? 11 THR A O 1 ATOM 151 C CB . THR A 1 11 ? 3.477 33.329 6.085 1.00 31.52 ? 11 THR A CB 1 ATOM 152 O OG1 . THR A 1 11 ? 2.771 34.508 5.749 1.00 33.11 ? 11 THR A OG1 1 ATOM 153 C CG2 . THR A 1 11 ? 4.050 33.448 7.497 1.00 33.69 ? 11 THR A CG2 1 ATOM 154 H H . THR A 1 11 ? 2.893 32.744 3.760 1.00 29.94 ? 11 THR A H 1 ATOM 155 H HA . THR A 1 11 ? 5.183 33.946 4.952 1.00 30.30 ? 11 THR A HA 1 ATOM 156 H HB . THR A 1 11 ? 2.774 32.497 6.094 1.00 32.21 ? 11 THR A HB 1 ATOM 157 H HG1 . THR A 1 11 ? 3.334 35.157 5.250 1.00 32.37 ? 11 THR A HG1 1 ATOM 158 H HG21 . THR A 1 11 ? 4.923 34.097 7.514 1.00 33.96 ? 11 THR A HG21 1 ATOM 159 H HG22 . THR A 1 11 ? 3.291 33.860 8.161 1.00 33.76 ? 11 THR A HG22 1 ATOM 160 H HG23 . THR A 1 11 ? 4.337 32.470 7.881 1.00 34.36 ? 11 THR A HG23 1 ATOM 161 N N . LEU A 1 12 ? 6.583 32.083 5.874 1.00 28.60 ? 12 LEU A N 1 ATOM 162 C CA . LEU A 1 12 ? 7.500 31.016 6.259 1.00 27.96 ? 12 LEU A CA 1 ATOM 163 C C . LEU A 1 12 ? 7.641 30.986 7.771 1.00 31.02 ? 12 LEU A C 1 ATOM 164 O O . LEU A 1 12 ? 7.764 32.025 8.391 1.00 30.77 ? 12 LEU A O 1 ATOM 165 C CB . LEU A 1 12 ? 8.866 31.231 5.623 1.00 27.68 ? 12 LEU A CB 1 ATOM 166 C CG . LEU A 1 12 ? 8.977 31.152 4.121 1.00 32.24 ? 12 LEU A CG 1 ATOM 167 C CD1 . LEU A 1 12 ? 10.326 31.693 3.662 1.00 30.55 ? 12 LEU A CD1 1 ATOM 168 C CD2 . LEU A 1 12 ? 8.822 29.692 3.650 1.00 37.58 ? 12 LEU A CD2 1 ATOM 169 H H . LEU A 1 12 ? 6.953 33.009 6.063 1.00 29.41 ? 12 LEU A H 1 ATOM 170 H HA . LEU A 1 12 ? 7.125 30.049 5.931 1.00 28.73 ? 12 LEU A HA 1 ATOM 171 H HB2 . LEU A 1 12 ? 9.198 32.226 5.903 1.00 28.72 ? 12 LEU A HB2 1 ATOM 172 H HB3 . LEU A 1 12 ? 9.545 30.489 6.036 1.00 26.89 ? 12 LEU A HB3 1 ATOM 173 H HG . LEU A 1 12 ? 8.193 31.751 3.661 1.00 32.00 ? 12 LEU A HG 1 ATOM 174 H HD11 . LEU A 1 12 ? 11.115 31.118 4.142 1.00 29.62 ? 12 LEU A HD11 1 ATOM 175 H HD12 . LEU A 1 12 ? 10.397 31.591 2.580 1.00 30.07 ? 12 LEU A HD12 1 ATOM 176 H HD13 . LEU A 1 12 ? 10.408 32.741 3.946 1.00 30.52 ? 12 LEU A HD13 1 ATOM 177 H HD21 . LEU A 1 12 ? 7.843 29.318 3.943 1.00 37.38 ? 12 LEU A HD21 1 ATOM 178 H HD22 . LEU A 1 12 ? 8.913 29.673 2.567 1.00 37.72 ? 12 LEU A HD22 1 ATOM 179 H HD23 . LEU A 1 12 ? 9.603 29.079 4.098 1.00 36.16 ? 12 LEU A HD23 1 ATOM 180 N N . TYR A 1 13 ? 7.675 29.784 8.348 1.00 27.47 ? 13 TYR A N 1 ATOM 181 C CA . TYR A 1 13 ? 7.765 29.549 9.772 1.00 26.62 ? 13 TYR A CA 1 ATOM 182 C C . TYR A 1 13 ? 9.037 28.817 10.100 1.00 30.03 ? 13 TYR A C 1 ATOM 183 O O . TYR A 1 13 ? 9.360 27.832 9.433 1.00 26.58 ? 13 TYR A O 1 ATOM 184 C CB . TYR A 1 13 ? 6.590 28.683 10.242 1.00 27.43 ? 13 TYR A CB 1 ATOM 185 C CG . TYR A 1 13 ? 5.244 29.274 9.907 1.00 28.33 ? 13 TYR A CG 1 ATOM 186 C CD1 . TYR A 1 13 ? 4.665 29.080 8.651 1.00 29.14 ? 13 TYR A CD1 1 ATOM 187 C CD2 . TYR A 1 13 ? 4.576 30.079 10.815 1.00 29.67 ? 13 TYR A CD2 1 ATOM 188 C CE1 . TYR A 1 13 ? 3.458 29.682 8.311 1.00 29.27 ? 13 TYR A CE1 1 ATOM 189 C CE2 . TYR A 1 13 ? 3.345 30.639 10.513 1.00 30.63 ? 13 TYR A CE2 1 ATOM 190 C CZ . TYR A 1 13 ? 2.795 30.463 9.249 1.00 37.34 ? 13 TYR A CZ 1 ATOM 191 O OH . TYR A 1 13 ? 1.572 31.025 8.968 1.00 31.04 ? 13 TYR A OH 1 ATOM 192 H H . TYR A 1 13 ? 7.648 28.915 7.826 1.00 28.72 ? 13 TYR A H 1 ATOM 193 H HA . TYR A 1 13 ? 7.736 30.492 10.314 1.00 26.98 ? 13 TYR A HA 1 ATOM 194 H HB2 . TYR A 1 13 ? 6.659 27.699 9.781 1.00 28.00 ? 13 TYR A HB2 1 ATOM 195 H HB3 . TYR A 1 13 ? 6.644 28.586 11.325 1.00 27.43 ? 13 TYR A HB3 1 ATOM 196 H HD1 . TYR A 1 13 ? 5.191 28.500 7.897 1.00 29.51 ? 13 TYR A HD1 1 ATOM 197 H HD2 . TYR A 1 13 ? 5.009 30.235 11.802 1.00 29.58 ? 13 TYR A HD2 1 ATOM 198 H HE1 . TYR A 1 13 ? 3.031 29.519 7.323 1.00 28.14 ? 13 TYR A HE1 1 ATOM 199 H HE2 . TYR A 1 13 ? 2.837 31.246 11.259 1.00 31.18 ? 13 TYR A HE2 1 ATOM 200 H HH . TYR A 1 13 ? 1.489 31.207 7.995 1.00 30.40 ? 13 TYR A HH 1 ATOM 201 N N . LEU A 1 14 ? 9.726 29.261 11.178 1.00 27.49 ? 14 LEU A N 1 ATOM 202 C CA . LEU A 1 14 ? 10.954 28.627 11.635 1.00 27.64 ? 14 LEU A CA 1 ATOM 203 C C . LEU A 1 14 ? 10.602 27.286 12.271 1.00 28.60 ? 14 LEU A C 1 ATOM 204 O O . LEU A 1 14 ? 9.809 27.226 13.205 1.00 26.86 ? 14 LEU A O 1 ATOM 205 C CB . LEU A 1 14 ? 11.702 29.532 12.639 1.00 27.33 ? 14 LEU A CB 1 ATOM 206 C CG . LEU A 1 14 ? 13.043 29.001 13.148 1.00 28.65 ? 14 LEU A CG 1 ATOM 207 C CD1 . LEU A 1 14 ? 14.047 28.897 12.028 1.00 26.32 ? 14 LEU A CD1 1 ATOM 208 C CD2 . LEU A 1 14 ? 13.550 29.884 14.282 1.00 30.83 ? 14 LEU A CD2 1 ATOM 209 H H . LEU A 1 14 ? 9.449 30.057 11.744 1.00 27.29 ? 14 LEU A H 1 ATOM 210 H HA . LEU A 1 14 ? 11.589 28.469 10.765 1.00 28.53 ? 14 LEU A HA 1 ATOM 211 H HB2 . LEU A 1 14 ? 11.887 30.491 12.156 1.00 28.12 ? 14 LEU A HB2 1 ATOM 212 H HB3 . LEU A 1 14 ? 11.063 29.684 13.508 1.00 27.13 ? 14 LEU A HB3 1 ATOM 213 H HG . LEU A 1 14 ? 12.911 28.001 13.559 1.00 27.77 ? 14 LEU A HG 1 ATOM 214 H HD11 . LEU A 1 14 ? 14.208 29.881 11.593 1.00 27.19 ? 14 LEU A HD11 1 ATOM 215 H HD12 . LEU A 1 14 ? 14.983 28.519 12.437 1.00 26.63 ? 14 LEU A HD12 1 ATOM 216 H HD13 . LEU A 1 14 ? 13.689 28.218 11.259 1.00 25.07 ? 14 LEU A HD13 1 ATOM 217 H HD21 . LEU A 1 14 ? 12.847 29.849 15.113 1.00 29.01 ? 14 LEU A HD21 1 ATOM 218 H HD22 . LEU A 1 14 ? 14.522 29.510 14.598 1.00 31.91 ? 14 LEU A HD22 1 ATOM 219 H HD23 . LEU A 1 14 ? 13.645 30.907 13.921 1.00 30.51 ? 14 LEU A HD23 1 ATOM 220 N N . ALA A 1 15 ? 11.079 26.211 11.672 1.00 26.15 ? 15 ALA A N 1 ATOM 221 C CA . ALA A 1 15 ? 10.761 24.852 12.134 1.00 26.85 ? 15 ALA A CA 1 ATOM 222 C C . ALA A 1 15 ? 11.942 24.193 12.838 1.00 30.07 ? 15 ALA A C 1 ATOM 223 O O . ALA A 1 15 ? 11.759 23.219 13.548 1.00 30.19 ? 15 ALA A O 1 ATOM 224 C CB . ALA A 1 15 ? 10.337 24.007 10.949 1.00 27.94 ? 15 ALA A CB 1 ATOM 225 H H . ALA A 1 15 ? 11.657 26.232 10.839 1.00 25.62 ? 15 ALA A H 1 ATOM 226 H HA . ALA A 1 15 ? 9.922 24.865 12.829 1.00 25.64 ? 15 ALA A HA 1 ATOM 227 H HB1 . ALA A 1 15 ? 11.166 23.947 10.245 1.00 26.98 ? 15 ALA A HB1 1 ATOM 228 H HB2 . ALA A 1 15 ? 10.067 23.013 11.300 1.00 28.27 ? 15 ALA A HB2 1 ATOM 229 H HB3 . ALA A 1 15 ? 9.477 24.475 10.474 1.00 27.92 ? 15 ALA A HB3 1 ATOM 230 N N . GLY A 1 16 ? 13.149 24.695 12.640 1.00 29.36 ? 16 GLY A N 1 ATOM 231 C CA . GLY A 1 16 ? 14.318 24.089 13.255 1.00 29.30 ? 16 GLY A CA 1 ATOM 232 C C . GLY A 1 16 ? 15.507 25.000 13.105 1.00 31.52 ? 16 GLY A C 1 ATOM 233 O O . GLY A 1 16 ? 15.538 25.787 12.176 1.00 29.43 ? 16 GLY A O 1 ATOM 234 H H . GLY A 1 16 ? 13.373 25.498 12.062 1.00 29.43 ? 16 GLY A H 1 ATOM 235 H HA2 . GLY A 1 16 ? 14.115 23.941 14.313 1.00 30.64 ? 16 GLY A HA2 1 ATOM 236 H HA3 . GLY A 1 16 ? 14.539 23.128 12.794 1.00 28.03 ? 16 GLY A HA3 1 ATOM 237 N N . HIS A 1 17 ? 16.474 24.902 14.026 1.00 28.22 ? 17 HIS A N 1 ATOM 238 C CA . HIS A 1 17 ? 17.705 25.675 13.969 1.00 28.99 ? 17 HIS A CA 1 ATOM 239 C C . HIS A 1 17 ? 18.808 25.014 14.778 1.00 32.82 ? 17 HIS A C 1 ATOM 240 O O . HIS A 1 17 ? 18.531 24.135 15.578 1.00 33.27 ? 17 HIS A O 1 ATOM 241 C CB . HIS A 1 17 ? 17.503 27.121 14.429 1.00 30.08 ? 17 HIS A CB 1 ATOM 242 C CG . HIS A 1 17 ? 17.009 27.235 15.840 1.00 34.40 ? 17 HIS A CG 1 ATOM 243 N ND1 . HIS A 1 17 ? 17.877 27.228 16.918 1.00 36.56 ? 17 HIS A ND1 1 ATOM 244 C CD2 . HIS A 1 17 ? 15.745 27.342 16.305 1.00 35.83 ? 17 HIS A CD2 1 ATOM 245 C CE1 . HIS A 1 17 ? 17.112 27.303 17.990 1.00 35.58 ? 17 HIS A CE1 1 ATOM 246 N NE2 . HIS A 1 17 ? 15.823 27.342 17.663 1.00 35.64 ? 17 HIS A NE2 1 ATOM 247 H H . HIS A 1 17 ? 16.429 24.259 14.810 1.00 28.01 ? 17 HIS A H 1 ATOM 248 H HA . HIS A 1 17 ? 18.030 25.697 12.931 1.00 31.03 ? 17 HIS A HA 1 ATOM 249 H HB2 . HIS A 1 17 ? 18.455 27.642 14.355 1.00 28.25 ? 17 HIS A HB2 1 ATOM 250 H HB3 . HIS A 1 17 ? 16.773 27.596 13.776 1.00 31.05 ? 17 HIS A HB3 1 ATOM 251 H HD1 . HIS A 1 17 ? 18.891 27.197 16.897 1.00 35.97 ? 17 HIS A HD1 1 ATOM 252 H HD2 . HIS A 1 17 ? 14.837 27.427 15.711 1.00 36.71 ? 17 HIS A HD2 1 ATOM 253 H HE1 . HIS A 1 17 ? 17.492 27.325 19.009 1.00 34.87 ? 17 HIS A HE1 1 ATOM 254 N N . SER A 1 18 ? 20.044 25.461 14.589 1.00 29.76 ? 18 SER A N 1 ATOM 255 C CA . SER A 1 18 ? 21.205 24.993 15.373 1.00 31.12 ? 18 SER A CA 1 ATOM 256 C C . SER A 1 18 ? 21.104 25.619 16.772 1.00 36.41 ? 18 SER A C 1 ATOM 257 O O . SER A 1 18 ? 20.736 26.789 16.858 1.00 34.60 ? 18 SER A O 1 ATOM 258 C CB . SER A 1 18 ? 22.511 25.462 14.725 1.00 32.27 ? 18 SER A CB 1 ATOM 259 O OG . SER A 1 18 ? 22.696 24.878 13.455 1.00 38.51 ? 18 SER A OG 1 ATOM 260 H H . SER A 1 18 ? 20.275 26.154 13.886 1.00 29.73 ? 18 SER A H 1 ATOM 261 H HA . SER A 1 18 ? 21.200 23.907 15.454 1.00 30.36 ? 18 SER A HA 1 ATOM 262 H HB2 . SER A 1 18 ? 22.482 26.546 14.629 1.00 31.63 ? 18 SER A HB2 1 ATOM 263 H HB3 . SER A 1 18 ? 23.352 25.171 15.349 1.00 33.06 ? 18 SER A HB3 1 ATOM 264 H HG . SER A 1 18 ? 22.549 23.897 13.505 1.00 38.29 ? 18 SER A HG 1 ATOM 265 N N . SER A 1 19 ? 21.350 24.847 17.849 1.00 35.72 ? 19 SER A N 1 ATOM 266 C CA . SER A 1 19 ? 21.237 25.358 19.250 1.00 37.23 ? 19 SER A CA 1 ATOM 267 C C . SER A 1 19 ? 21.967 26.662 19.521 1.00 40.64 ? 19 SER A C 1 ATOM 268 O O . SER A 1 19 ? 21.466 27.490 20.259 1.00 39.78 ? 19 SER A O 1 ATOM 269 C CB . SER A 1 19 ? 21.713 24.314 20.263 1.00 40.75 ? 19 SER A CB 1 ATOM 270 O OG . SER A 1 19 ? 23.096 24.095 20.060 1.00 58.88 ? 19 SER A OG 1 ATOM 271 H H . SER A 1 19 ? 21.590 23.863 17.782 1.00 34.75 ? 19 SER A H 1 ATOM 272 H HA . SER A 1 19 ? 20.183 25.539 19.455 1.00 37.68 ? 19 SER A HA 1 ATOM 273 H HB2 . SER A 1 19 ? 21.561 24.691 21.273 1.00 39.22 ? 19 SER A HB2 1 ATOM 274 H HB3 . SER A 1 19 ? 21.169 23.381 20.120 1.00 39.09 ? 19 SER A HB3 1 ATOM 275 H HG . SER A 1 19 ? 23.427 23.398 20.686 1.00 59.88 ? 19 SER A HG 1 ATOM 276 N N . LYS A 1 20 ? 23.137 26.855 18.936 1.00 41.00 ? 20 LYS A N 1 ATOM 277 C CA . LYS A 1 20 ? 23.939 28.075 19.131 1.00 41.72 ? 20 LYS A CA 1 ATOM 278 C C . LYS A 1 20 ? 23.168 29.377 18.801 1.00 44.01 ? 20 LYS A C 1 ATOM 279 O O . LYS A 1 20 ? 23.484 30.431 19.363 1.00 42.23 ? 20 LYS A O 1 ATOM 280 C CB . LYS A 1 20 ? 25.216 27.984 18.267 1.00 45.74 ? 20 LYS A CB 1 ATOM 281 C CG . LYS A 1 20 ? 26.094 29.229 18.247 1.00 70.65 ? 20 LYS A CG 1 ATOM 282 C CD . LYS A 1 20 ? 27.436 28.975 17.564 1.00 85.61 ? 20 LYS A CD 1 ATOM 283 C CE . LYS A 1 20 ? 28.364 30.164 17.671 1.00 102.84 ? 20 LYS A CE 1 ATOM 284 N NZ . LYS A 1 20 ? 29.108 30.404 16.405 1.00 116.44 ? 20 LYS A NZ 1 ATOM 285 H H . LYS A 1 20 ? 23.572 26.172 18.323 1.00 41.56 ? 20 LYS A H 1 ATOM 286 H HA . LYS A 1 20 ? 24.243 28.125 20.175 1.00 41.39 ? 20 LYS A HA 1 ATOM 287 H HB2 . LYS A 1 20 ? 25.818 27.157 18.639 1.00 45.91 ? 20 LYS A HB2 1 ATOM 288 H HB3 . LYS A 1 20 ? 24.921 27.787 17.237 1.00 46.03 ? 20 LYS A HB3 1 ATOM 289 H HG2 . LYS A 1 20 ? 25.597 30.020 17.688 1.00 70.40 ? 20 LYS A HG2 1 ATOM 290 H HG3 . LYS A 1 20 ? 26.285 29.551 19.270 1.00 70.94 ? 20 LYS A HG3 1 ATOM 291 H HD2 . LYS A 1 20 ? 27.923 28.122 18.035 1.00 85.47 ? 20 LYS A HD2 1 ATOM 292 H HD3 . LYS A 1 20 ? 27.262 28.771 16.508 1.00 85.54 ? 20 LYS A HD3 1 ATOM 293 H HE2 . LYS A 1 20 ? 27.787 31.060 17.894 1.00 102.92 ? 20 LYS A HE2 1 ATOM 294 H HE3 . LYS A 1 20 ? 29.088 29.980 18.464 1.00 102.69 ? 20 LYS A HE3 1 ATOM 295 H HZ1 . LYS A 1 20 ? 29.598 29.562 16.121 1.00 116.56 ? 20 LYS A HZ1 1 ATOM 296 H HZ2 . LYS A 1 20 ? 28.459 30.672 15.673 1.00 116.33 ? 20 LYS A HZ2 1 ATOM 297 H HZ3 . LYS A 1 20 ? 29.783 31.152 16.534 1.00 116.44 ? 20 LYS A HZ3 1 ATOM 298 N N . LEU A 1 21 ? 22.220 29.317 17.847 1.00 38.81 ? 21 LEU A N 1 ATOM 299 C CA . LEU A 1 21 ? 21.425 30.482 17.459 1.00 38.32 ? 21 LEU A CA 1 ATOM 300 C C . LEU A 1 21 ? 20.343 30.874 18.481 1.00 41.33 ? 21 LEU A C 1 ATOM 301 O O . LEU A 1 21 ? 19.891 32.028 18.464 1.00 41.16 ? 21 LEU A O 1 ATOM 302 C CB . LEU A 1 21 ? 20.727 30.191 16.137 1.00 38.44 ? 21 LEU A CB 1 ATOM 303 C CG . LEU A 1 21 ? 21.638 30.015 14.930 1.00 42.08 ? 21 LEU A CG 1 ATOM 304 C CD1 . LEU A 1 21 ? 20.864 29.533 13.771 1.00 40.88 ? 21 LEU A CD1 1 ATOM 305 C CD2 . LEU A 1 21 ? 22.334 31.274 14.594 1.00 43.57 ? 21 LEU A CD2 1 ATOM 306 H H . LEU A 1 21 ? 22.001 28.479 17.318 1.00 38.31 ? 21 LEU A H 1 ATOM 307 H HA . LEU A 1 21 ? 22.080 31.342 17.335 1.00 37.43 ? 21 LEU A HA 1 ATOM 308 H HB2 . LEU A 1 21 ? 20.137 29.285 16.256 1.00 38.16 ? 21 LEU A HB2 1 ATOM 309 H HB3 . LEU A 1 21 ? 20.048 31.012 15.912 1.00 39.83 ? 21 LEU A HB3 1 ATOM 310 H HG . LEU A 1 21 ? 22.397 29.268 15.155 1.00 42.60 ? 21 LEU A HG 1 ATOM 311 H HD11 . LEU A 1 21 ? 20.059 30.243 13.595 1.00 39.83 ? 21 LEU A HD11 1 ATOM 312 H HD12 . LEU A 1 21 ? 21.513 29.463 12.899 1.00 41.38 ? 21 LEU A HD12 1 ATOM 313 H HD13 . LEU A 1 21 ? 20.465 28.547 14.002 1.00 40.39 ? 21 LEU A HD13 1 ATOM 314 H HD21 . LEU A 1 21 ? 21.612 32.088 14.548 1.00 43.06 ? 21 LEU A HD21 1 ATOM 315 H HD22 . LEU A 1 21 ? 23.083 31.474 15.358 1.00 43.56 ? 21 LEU A HD22 1 ATOM 316 H HD23 . LEU A 1 21 ? 22.835 31.164 13.633 1.00 43.96 ? 21 LEU A HD23 1 ATOM 317 N N . PHE A 1 22 ? 19.927 29.911 19.327 1.00 38.04 ? 22 PHE A N 1 ATOM 318 C CA . PHE A 1 22 ? 18.856 30.005 20.303 1.00 39.98 ? 22 PHE A CA 1 ATOM 319 C C . PHE A 1 22 ? 18.788 31.315 21.098 1.00 45.00 ? 22 PHE A C 1 ATOM 320 O O . PHE A 1 22 ? 19.764 31.689 21.725 1.00 44.84 ? 22 PHE A O 1 ATOM 321 C CB . PHE A 1 22 ? 18.917 28.835 21.292 1.00 42.02 ? 22 PHE A CB 1 ATOM 322 C CG . PHE A 1 22 ? 17.757 28.805 22.272 1.00 44.64 ? 22 PHE A CG 1 ATOM 323 C CD1 . PHE A 1 22 ? 16.518 28.323 21.891 1.00 48.08 ? 22 PHE A CD1 1 ATOM 324 C CD2 . PHE A 1 22 ? 17.925 29.215 23.591 1.00 47.13 ? 22 PHE A CD2 1 ATOM 325 C CE1 . PHE A 1 22 ? 15.450 28.282 22.801 1.00 48.91 ? 22 PHE A CE1 1 ATOM 326 C CE2 . PHE A 1 22 ? 16.853 29.178 24.496 1.00 48.81 ? 22 PHE A CE2 1 ATOM 327 C CZ . PHE A 1 22 ? 15.635 28.682 24.100 1.00 45.96 ? 22 PHE A CZ 1 ATOM 328 H H . PHE A 1 22 ? 20.347 28.988 19.345 1.00 38.30 ? 22 PHE A H 1 ATOM 329 H HA . PHE A 1 22 ? 17.922 29.886 19.757 1.00 40.71 ? 22 PHE A HA 1 ATOM 330 H HB2 . PHE A 1 22 ? 18.903 27.893 20.746 1.00 41.32 ? 22 PHE A HB2 1 ATOM 331 H HB3 . PHE A 1 22 ? 19.839 28.921 21.863 1.00 41.36 ? 22 PHE A HB3 1 ATOM 332 H HD1 . PHE A 1 22 ? 16.365 27.981 20.869 1.00 48.49 ? 22 PHE A HD1 1 ATOM 333 H HD2 . PHE A 1 22 ? 18.889 29.606 23.914 1.00 46.48 ? 22 PHE A HD2 1 ATOM 334 H HE1 . PHE A 1 22 ? 14.482 27.896 22.483 1.00 48.40 ? 22 PHE A HE1 1 ATOM 335 H HE2 . PHE A 1 22 ? 16.993 29.517 25.521 1.00 48.29 ? 22 PHE A HE2 1 ATOM 336 H HZ . PHE A 1 22 ? 14.801 28.650 24.798 1.00 45.22 ? 22 PHE A HZ 1 ATOM 337 N N . GLU A 1 23 ? 17.624 31.988 21.057 1.00 41.61 ? 23 GLU A N 1 ATOM 338 C CA . GLU A 1 23 ? 17.322 33.213 21.811 1.00 41.13 ? 23 GLU A CA 1 ATOM 339 C C . GLU A 1 23 ? 16.241 32.854 22.815 1.00 43.14 ? 23 GLU A C 1 ATOM 340 O O . GLU A 1 23 ? 15.135 32.456 22.432 1.00 40.68 ? 23 GLU A O 1 ATOM 341 C CB . GLU A 1 23 ? 16.798 34.336 20.903 1.00 42.72 ? 23 GLU A CB 1 ATOM 342 C CG . GLU A 1 23 ? 17.839 34.883 19.948 1.00 55.42 ? 23 GLU A CG 1 ATOM 343 C CD . GLU A 1 23 ? 18.950 35.717 20.562 1.00 86.07 ? 23 GLU A CD 1 ATOM 344 O OE1 . GLU A 1 23 ? 18.873 36.031 21.774 1.00 83.94 ? 23 GLU A OE1 1 ATOM 345 O OE2 . GLU A 1 23 ? 19.900 36.063 19.820 1.00 82.78 ? 23 GLU A OE2 1 ATOM 346 H H . GLU A 1 23 ? 16.841 31.699 20.480 1.00 42.08 ? 23 GLU A H 1 ATOM 347 H HA . GLU A 1 23 ? 18.206 33.569 22.336 1.00 40.38 ? 23 GLU A HA 1 ATOM 348 H HB2 . GLU A 1 23 ? 15.949 33.961 20.335 1.00 42.09 ? 23 GLU A HB2 1 ATOM 349 H HB3 . GLU A 1 23 ? 16.459 35.162 21.525 1.00 43.49 ? 23 GLU A HB3 1 ATOM 350 H HG2 . GLU A 1 23 ? 18.309 34.040 19.443 1.00 55.27 ? 23 GLU A HG2 1 ATOM 351 H HG3 . GLU A 1 23 ? 17.330 35.509 19.217 1.00 55.71 ? 23 GLU A HG3 1 ATOM 352 N N . ARG A 1 24 ? 16.562 32.995 24.101 1.00 42.92 ? 24 ARG A N 1 ATOM 353 C CA . ARG A 1 24 ? 15.639 32.682 25.201 1.00 43.11 ? 24 ARG A CA 1 ATOM 354 C C . ARG A 1 24 ? 14.454 33.654 25.130 1.00 41.83 ? 24 ARG A C 1 ATOM 355 O O . ARG A 1 24 ? 14.646 34.814 24.812 1.00 39.28 ? 24 ARG A O 1 ATOM 356 C CB . ARG A 1 24 ? 16.364 32.798 26.575 1.00 46.22 ? 24 ARG A CB 1 ATOM 357 C CG . ARG A 1 24 ? 15.789 31.894 27.657 1.00 68.21 ? 24 ARG A CG 1 ATOM 358 C CD . ARG A 1 24 ? 16.884 31.326 28.557 1.00 97.01 ? 24 ARG A CD 1 ATOM 359 N NE . ARG A 1 24 ? 16.356 30.388 29.554 1.00 116.80 ? 24 ARG A NE 1 ATOM 360 C CZ . ARG A 1 24 ? 17.100 29.676 30.401 1.00 135.18 ? 24 ARG A CZ 1 ATOM 361 N NH1 . ARG A 1 24 ? 18.427 29.782 30.386 1.00 124.74 ? 24 ARG A NH1 1 ATOM 362 N NH2 . ARG A 1 24 ? 16.523 28.851 31.271 1.00 120.41 ? 24 ARG A NH2 1 ATOM 363 H H . ARG A 1 24 ? 17.454 33.365 24.414 1.00 44.10 ? 24 ARG A H 1 ATOM 364 H HA . ARG A 1 24 ? 15.276 31.663 25.075 1.00 42.94 ? 24 ARG A HA 1 ATOM 365 H HB2 . ARG A 1 24 ? 17.413 32.536 26.447 1.00 46.25 ? 24 ARG A HB2 1 ATOM 366 H HB3 . ARG A 1 24 ? 16.295 33.823 26.935 1.00 45.33 ? 24 ARG A HB3 1 ATOM 367 H HG2 . ARG A 1 24 ? 15.111 32.479 28.278 1.00 68.28 ? 24 ARG A HG2 1 ATOM 368 H HG3 . ARG A 1 24 ? 15.255 31.060 27.205 1.00 67.56 ? 24 ARG A HG3 1 ATOM 369 H HD2 . ARG A 1 24 ? 17.599 30.784 27.939 1.00 97.19 ? 24 ARG A HD2 1 ATOM 370 H HD3 . ARG A 1 24 ? 17.381 32.141 29.081 1.00 96.93 ? 24 ARG A HD3 1 ATOM 371 H HE . ARG A 1 24 ? 15.348 30.276 29.598 1.00 116.86 ? 24 ARG A HE 1 ATOM 372 H HH11 . ARG A 1 24 ? 18.913 30.403 29.748 1.00 124.67 ? 24 ARG A HH11 1 ATOM 373 H HH12 . ARG A 1 24 ? 18.979 29.235 31.040 1.00 124.76 ? 24 ARG A HH12 1 ATOM 374 H HH21 . ARG A 1 24 ? 15.513 28.756 31.294 1.00 120.29 ? 24 ARG A HH21 1 ATOM 375 H HH22 . ARG A 1 24 ? 17.089 28.308 31.915 1.00 120.27 ? 24 ARG A HH22 1 ATOM 376 N N . ASN A 1 25 ? 13.250 33.147 25.329 1.00 39.21 ? 25 ASN A N 1 ATOM 377 C CA . ASN A 1 25 ? 12.005 33.929 25.336 1.00 40.39 ? 25 ASN A CA 1 ATOM 378 C C . ASN A 1 25 ? 11.518 34.366 23.954 1.00 41.80 ? 25 ASN A C 1 ATOM 379 O O . ASN A 1 25 ? 10.561 35.124 23.893 1.00 40.97 ? 25 ASN A O 1 ATOM 380 C CB . ASN A 1 25 ? 12.105 35.162 26.280 1.00 43.85 ? 25 ASN A CB 1 ATOM 381 C CG . ASN A 1 25 ? 12.647 34.824 27.638 1.00 53.48 ? 25 ASN A CG 1 ATOM 382 O OD1 . ASN A 1 25 ? 13.647 35.395 28.090 1.00 48.42 ? 25 ASN A OD1 1 ATOM 383 N ND2 . ASN A 1 25 ? 11.950 33.949 28.338 1.00 39.38 ? 25 ASN A ND2 1 ATOM 384 H H . ASN A 1 25 ? 13.084 32.157 25.483 1.00 38.33 ? 25 ASN A H 1 ATOM 385 H HA . ASN A 1 25 ? 11.219 33.286 25.731 1.00 39.93 ? 25 ASN A HA 1 ATOM 386 H HB2 . ASN A 1 25 ? 12.735 35.932 25.839 1.00 43.51 ? 25 ASN A HB2 1 ATOM 387 H HB3 . ASN A 1 25 ? 11.105 35.566 26.432 1.00 43.90 ? 25 ASN A HB3 1 ATOM 388 H HD21 . ASN A 1 25 ? 11.073 33.573 27.990 1.00 37.19 ? 25 ASN A HD21 1 ATOM 389 H HD22 . ASN A 1 25 ? 12.279 33.689 29.262 1.00 40.47 ? 25 ASN A HD22 1 ATOM 390 N N . VAL A 1 26 ? 12.099 33.848 22.866 1.00 36.45 ? 26 VAL A N 1 ATOM 391 C CA . VAL A 1 26 ? 11.664 34.181 21.513 1.00 35.52 ? 26 VAL A CA 1 ATOM 392 C C . VAL A 1 26 ? 10.874 33.000 20.955 1.00 40.27 ? 26 VAL A C 1 ATOM 393 O O . VAL A 1 26 ? 11.368 31.882 20.941 1.00 41.27 ? 26 VAL A O 1 ATOM 394 C CB . VAL A 1 26 ? 12.820 34.628 20.612 1.00 36.51 ? 26 VAL A CB 1 ATOM 395 C CG1 . VAL A 1 26 ? 12.338 34.840 19.171 1.00 37.10 ? 26 VAL A CG1 1 ATOM 396 C CG2 . VAL A 1 26 ? 13.429 35.911 21.154 1.00 35.09 ? 26 VAL A CG2 1 ATOM 397 H H . VAL A 1 26 ? 12.847 33.162 22.873 1.00 37.35 ? 26 VAL A H 1 ATOM 398 H HA . VAL A 1 26 ? 11.003 35.045 21.545 1.00 37.23 ? 26 VAL A HA 1 ATOM 399 H HB . VAL A 1 26 ? 13.591 33.859 20.607 1.00 36.33 ? 26 VAL A HB 1 ATOM 400 H HG11 . VAL A 1 26 ? 11.455 35.477 19.184 1.00 37.95 ? 26 VAL A HG11 1 ATOM 401 H HG12 . VAL A 1 26 ? 13.126 35.323 18.594 1.00 36.69 ? 26 VAL A HG12 1 ATOM 402 H HG13 . VAL A 1 26 ? 12.097 33.879 18.720 1.00 37.06 ? 26 VAL A HG13 1 ATOM 403 H HG21 . VAL A 1 26 ? 13.712 35.773 22.196 1.00 34.89 ? 26 VAL A HG21 1 ATOM 404 H HG22 . VAL A 1 26 ? 14.306 36.166 20.561 1.00 35.09 ? 26 VAL A HG22 1 ATOM 405 H HG23 . VAL A 1 26 ? 12.692 36.708 21.073 1.00 35.36 ? 26 VAL A HG23 1 ATOM 406 N N . GLY A 1 27 ? 9.636 33.229 20.558 1.00 36.00 ? 27 GLY A N 1 ATOM 407 C CA . GLY A 1 27 ? 8.802 32.152 20.006 1.00 35.55 ? 27 GLY A CA 1 ATOM 408 C C . GLY A 1 27 ? 8.015 32.632 18.826 1.00 36.39 ? 27 GLY A C 1 ATOM 409 O O . GLY A 1 27 ? 8.111 33.796 18.470 1.00 34.88 ? 27 GLY A O 1 ATOM 410 H H . GLY A 1 27 ? 9.167 34.127 20.615 1.00 35.63 ? 27 GLY A H 1 ATOM 411 H HA2 . GLY A 1 27 ? 9.399 31.310 19.660 1.00 36.46 ? 27 GLY A HA2 1 ATOM 412 H HA3 . GLY A 1 27 ? 8.109 31.799 20.769 1.00 35.31 ? 27 GLY A HA3 1 ATOM 413 N N . CYS A 1 28 ? 7.236 31.734 18.220 1.00 35.79 ? 28 CYS A N 1 ATOM 414 C CA . CYS A 1 28 ? 6.348 32.019 17.091 1.00 37.10 ? 28 CYS A CA 1 ATOM 415 C C . CYS A 1 28 ? 7.088 32.754 15.936 1.00 35.66 ? 28 CYS A C 1 ATOM 416 O O . CYS A 1 28 ? 6.504 33.647 15.335 1.00 35.19 ? 28 CYS A O 1 ATOM 417 C CB . CYS A 1 28 ? 5.130 32.817 17.576 1.00 40.36 ? 28 CYS A CB 1 ATOM 418 S SG . CYS A 1 28 ? 4.267 32.110 19.028 1.00 46.52 ? 28 CYS A SG 1 ATOM 419 H H . CYS A 1 28 ? 7.199 30.761 18.505 1.00 36.77 ? 28 CYS A H 1 ATOM 420 H HA . CYS A 1 28 ? 5.996 31.069 16.691 1.00 36.90 ? 28 CYS A HA 1 ATOM 421 H HB2 . CYS A 1 28 ? 5.473 33.810 17.859 1.00 40.65 ? 28 CYS A HB2 1 ATOM 422 H HB3 . CYS A 1 28 ? 4.413 32.908 16.761 1.00 40.18 ? 28 CYS A HB3 1 ATOM 423 N N . VAL A 1 29 ? 8.363 32.378 15.637 1.00 30.51 ? 29 VAL A N 1 ATOM 424 C CA . VAL A 1 29 ? 9.199 33.046 14.614 1.00 29.28 ? 29 VAL A CA 1 ATOM 425 C C . VAL A 1 29 ? 8.699 32.714 13.225 1.00 31.86 ? 29 VAL A C 1 ATOM 426 O O . VAL A 1 29 ? 8.520 31.538 12.872 1.00 31.41 ? 29 VAL A O 1 ATOM 427 C CB . VAL A 1 29 ? 10.712 32.766 14.777 1.00 32.52 ? 29 VAL A CB 1 ATOM 428 C CG1 . VAL A 1 29 ? 11.532 33.452 13.687 1.00 31.94 ? 29 VAL A CG1 1 ATOM 429 C CG2 . VAL A 1 29 ? 11.192 33.211 16.141 1.00 32.76 ? 29 VAL A CG2 1 ATOM 430 H H . VAL A 1 29 ? 8.825 31.581 16.063 1.00 30.63 ? 29 VAL A H 1 ATOM 431 H HA . VAL A 1 29 ? 9.094 34.116 14.777 1.00 30.56 ? 29 VAL A HA 1 ATOM 432 H HB . VAL A 1 29 ? 10.890 31.695 14.704 1.00 33.63 ? 29 VAL A HB 1 ATOM 433 H HG11 . VAL A 1 29 ? 11.215 34.490 13.596 1.00 31.43 ? 29 VAL A HG11 1 ATOM 434 H HG12 . VAL A 1 29 ? 12.587 33.405 13.956 1.00 31.07 ? 29 VAL A HG12 1 ATOM 435 H HG13 . VAL A 1 29 ? 11.392 32.930 12.742 1.00 32.72 ? 29 VAL A HG13 1 ATOM 436 H HG21 . VAL A 1 29 ? 10.643 32.670 16.910 1.00 32.84 ? 29 VAL A HG21 1 ATOM 437 H HG22 . VAL A 1 29 ? 12.253 32.990 16.238 1.00 33.29 ? 29 VAL A HG22 1 ATOM 438 H HG23 . VAL A 1 29 ? 11.039 34.284 16.247 1.00 31.86 ? 29 VAL A HG23 1 ATOM 439 N N . LYS A 1 30 ? 8.409 33.751 12.463 1.00 29.26 ? 30 LYS A N 1 ATOM 440 C CA . LYS A 1 30 ? 7.892 33.617 11.108 1.00 29.70 ? 30 LYS A CA 1 ATOM 441 C C . LYS A 1 30 ? 8.210 34.854 10.277 1.00 32.58 ? 30 LYS A C 1 ATOM 442 O O . LYS A 1 30 ? 8.573 35.897 10.806 1.00 31.71 ? 30 LYS A O 1 ATOM 443 C CB . LYS A 1 30 ? 6.367 33.359 11.149 1.00 32.39 ? 30 LYS A CB 1 ATOM 444 C CG . LYS A 1 30 ? 5.539 34.525 11.626 1.00 34.62 ? 30 LYS A CG 1 ATOM 445 C CD . LYS A 1 30 ? 4.041 34.262 11.646 1.00 43.56 ? 30 LYS A CD 1 ATOM 446 C CE . LYS A 1 30 ? 3.520 34.002 13.015 1.00 47.21 ? 30 LYS A CE 1 ATOM 447 N NZ . LYS A 1 30 ? 2.063 33.690 13.039 1.00 50.62 ? 30 LYS A NZ 1 ATOM 448 H H . LYS A 1 30 ? 8.508 34.717 12.756 1.00 30.50 ? 30 LYS A H 1 ATOM 449 H HA . LYS A 1 30 ? 8.377 32.768 10.629 1.00 29.17 ? 30 LYS A HA 1 ATOM 450 H HB2 . LYS A 1 30 ? 6.029 33.122 10.141 1.00 33.74 ? 30 LYS A HB2 1 ATOM 451 H HB3 . LYS A 1 30 ? 6.163 32.524 11.818 1.00 31.96 ? 30 LYS A HB3 1 ATOM 452 H HG2 . LYS A 1 30 ? 5.864 34.787 12.631 1.00 35.21 ? 30 LYS A HG2 1 ATOM 453 H HG3 . LYS A 1 30 ? 5.680 35.362 10.945 1.00 34.57 ? 30 LYS A HG3 1 ATOM 454 H HD2 . LYS A 1 30 ? 3.520 35.140 11.267 1.00 43.50 ? 30 LYS A HD2 1 ATOM 455 H HD3 . LYS A 1 30 ? 3.822 33.397 11.022 1.00 44.08 ? 30 LYS A HD3 1 ATOM 456 H HE2 . LYS A 1 30 ? 4.057 33.152 13.435 1.00 47.76 ? 30 LYS A HE2 1 ATOM 457 H HE3 . LYS A 1 30 ? 3.684 34.892 13.621 1.00 47.31 ? 30 LYS A HE3 1 ATOM 458 H HZ1 . LYS A 1 30 ? 1.831 32.977 12.357 1.00 50.50 ? 30 LYS A HZ1 1 ATOM 459 H HZ2 . LYS A 1 30 ? 1.794 33.350 13.957 1.00 50.47 ? 30 LYS A HZ2 1 ATOM 460 H HZ3 . LYS A 1 30 ? 1.535 34.532 12.834 1.00 50.66 ? 30 LYS A HZ3 1 ATOM 461 N N . THR A 1 31 ? 8.078 34.733 8.974 1.00 29.18 ? 31 THR A N 1 ATOM 462 C CA . THR A 1 31 ? 8.332 35.855 8.082 1.00 29.72 ? 31 THR A CA 1 ATOM 463 C C . THR A 1 31 ? 7.210 35.971 7.042 1.00 32.15 ? 31 THR A C 1 ATOM 464 O O . THR A 1 31 ? 6.902 34.991 6.368 1.00 30.25 ? 31 THR A O 1 ATOM 465 C CB . THR A 1 31 ? 9.774 35.823 7.464 1.00 37.60 ? 31 THR A CB 1 ATOM 466 O OG1 . THR A 1 31 ? 9.860 36.811 6.461 1.00 40.41 ? 31 THR A OG1 1 ATOM 467 C CG2 . THR A 1 31 ? 10.131 34.533 6.797 1.00 36.75 ? 31 THR A CG2 1 ATOM 468 H H . THR A 1 31 ? 7.810 33.873 8.506 1.00 29.91 ? 31 THR A H 1 ATOM 469 H HA . THR A 1 31 ? 8.283 36.758 8.686 1.00 30.72 ? 31 THR A HA 1 ATOM 470 H HB . THR A 1 31 ? 10.513 36.021 8.239 1.00 36.98 ? 31 THR A HB 1 ATOM 471 H HG1 . THR A 1 31 ? 9.688 37.702 6.865 1.00 41.35 ? 31 THR A HG1 1 ATOM 472 H HG21 . THR A 1 31 ? 9.475 34.381 5.941 1.00 36.41 ? 31 THR A HG21 1 ATOM 473 H HG22 . THR A 1 31 ? 11.154 34.594 6.430 1.00 36.27 ? 31 THR A HG22 1 ATOM 474 H HG23 . THR A 1 31 ? 10.049 33.700 7.494 1.00 36.76 ? 31 THR A HG23 1 ATOM 475 N N . ARG A 1 32 ? 6.603 37.174 6.919 1.00 29.44 ? 32 ARG A N 1 ATOM 476 C CA . ARG A 1 32 ? 5.567 37.439 5.927 1.00 28.82 ? 32 ARG A CA 1 ATOM 477 C C . ARG A 1 32 ? 6.137 38.294 4.819 1.00 33.57 ? 32 ARG A C 1 ATOM 478 O O . ARG A 1 32 ? 6.951 39.184 5.058 1.00 35.22 ? 32 ARG A O 1 ATOM 479 C CB . ARG A 1 32 ? 4.332 38.147 6.514 1.00 29.23 ? 32 ARG A CB 1 ATOM 480 C CG . ARG A 1 32 ? 3.733 37.524 7.741 1.00 32.05 ? 32 ARG A CG 1 ATOM 481 C CD . ARG A 1 32 ? 2.347 38.062 7.930 1.00 30.61 ? 32 ARG A CD 1 ATOM 482 N NE . ARG A 1 32 ? 1.729 37.583 9.166 1.00 35.57 ? 32 ARG A NE 1 ATOM 483 C CZ . ARG A 1 32 ? 1.739 38.215 10.334 1.00 53.07 ? 32 ARG A CZ 1 ATOM 484 N NH1 . ARG A 1 32 ? 2.353 39.390 10.464 1.00 47.44 ? 32 ARG A NH1 1 ATOM 485 N NH2 . ARG A 1 32 ? 1.139 37.678 11.388 1.00 42.76 ? 32 ARG A NH2 1 ATOM 486 H H . ARG A 1 32 ? 6.801 37.979 7.504 1.00 30.03 ? 32 ARG A H 1 ATOM 487 H HA . ARG A 1 32 ? 5.207 36.509 5.491 1.00 29.50 ? 32 ARG A HA 1 ATOM 488 H HB2 . ARG A 1 32 ? 4.569 39.181 6.751 1.00 29.65 ? 32 ARG A HB2 1 ATOM 489 H HB3 . ARG A 1 32 ? 3.561 38.133 5.745 1.00 29.24 ? 32 ARG A HB3 1 ATOM 490 H HG2 . ARG A 1 32 ? 3.673 36.443 7.620 1.00 31.42 ? 32 ARG A HG2 1 ATOM 491 H HG3 . ARG A 1 32 ? 4.334 37.781 8.611 1.00 33.82 ? 32 ARG A HG3 1 ATOM 492 H HD2 . ARG A 1 32 ? 2.352 39.148 7.870 1.00 30.50 ? 32 ARG A HD2 1 ATOM 493 H HD3 . ARG A 1 32 ? 1.730 37.677 7.120 1.00 31.78 ? 32 ARG A HD3 1 ATOM 494 H HE . ARG A 1 32 ? 1.238 36.696 9.118 1.00 35.69 ? 32 ARG A HE 1 ATOM 495 H HH11 . ARG A 1 32 ? 2.853 39.842 9.706 1.00 47.42 ? 32 ARG A HH11 1 ATOM 496 H HH12 . ARG A 1 32 ? 2.363 39.843 11.372 1.00 47.73 ? 32 ARG A HH12 1 ATOM 497 H HH21 . ARG A 1 32 ? 0.651 36.793 11.299 1.00 42.95 ? 32 ARG A HH21 1 ATOM 498 H HH22 . ARG A 1 32 ? 1.144 38.158 12.283 1.00 43.12 ? 32 ARG A HH22 1 ATOM 499 N N . TYR A 1 33 ? 5.634 38.075 3.614 1.00 29.75 ? 33 TYR A N 1 ATOM 500 C CA . TYR A 1 33 ? 5.984 38.839 2.438 1.00 29.78 ? 33 TYR A CA 1 ATOM 501 C C . TYR A 1 33 ? 5.270 40.185 2.550 1.00 33.13 ? 33 TYR A C 1 ATOM 502 O O . TYR A 1 33 ? 4.070 40.213 2.855 1.00 31.43 ? 33 TYR A O 1 ATOM 503 C CB . TYR A 1 33 ? 5.470 38.092 1.183 1.00 30.79 ? 33 TYR A CB 1 ATOM 504 C CG . TYR A 1 33 ? 5.609 38.862 -0.114 1.00 31.00 ? 33 TYR A CG 1 ATOM 505 C CD1 . TYR A 1 33 ? 4.655 39.796 -0.501 1.00 30.61 ? 33 TYR A CD1 1 ATOM 506 C CD2 . TYR A 1 33 ? 6.686 38.642 -0.962 1.00 33.73 ? 33 TYR A CD2 1 ATOM 507 C CE1 . TYR A 1 33 ? 4.790 40.515 -1.688 1.00 30.34 ? 33 TYR A CE1 1 ATOM 508 C CE2 . TYR A 1 33 ? 6.827 39.351 -2.146 1.00 34.65 ? 33 TYR A CE2 1 ATOM 509 C CZ . TYR A 1 33 ? 5.841 40.243 -2.536 1.00 37.92 ? 33 TYR A CZ 1 ATOM 510 O OH . TYR A 1 33 ? 5.971 40.918 -3.721 1.00 48.71 ? 33 TYR A OH 1 ATOM 511 H H . TYR A 1 33 ? 4.944 37.354 3.427 1.00 30.45 ? 33 TYR A H 1 ATOM 512 H HA . TYR A 1 33 ? 7.062 38.975 2.373 1.00 29.85 ? 33 TYR A HA 1 ATOM 513 H HB2 . TYR A 1 33 ? 6.062 37.183 1.087 1.00 30.90 ? 33 TYR A HB2 1 ATOM 514 H HB3 . TYR A 1 33 ? 4.417 37.841 1.306 1.00 29.50 ? 33 TYR A HB3 1 ATOM 515 H HD1 . TYR A 1 33 ? 3.788 39.973 0.133 1.00 29.84 ? 33 TYR A HD1 1 ATOM 516 H HD2 . TYR A 1 33 ? 7.456 37.928 -0.673 1.00 34.11 ? 33 TYR A HD2 1 ATOM 517 H HE1 . TYR A 1 33 ? 4.022 41.229 -1.980 1.00 30.46 ? 33 TYR A HE1 1 ATOM 518 H HE2 . TYR A 1 33 ? 7.681 39.150 -2.790 1.00 34.53 ? 33 TYR A HE2 1 ATOM 519 H HH . TYR A 1 33 ? 5.173 41.477 -3.911 1.00 48.78 ? 33 TYR A HH 1 ATOM 520 N N . LEU A 1 34 ? 5.967 41.275 2.255 1.00 31.12 ? 34 LEU A N 1 ATOM 521 C CA . LEU A 1 34 ? 5.334 42.615 2.285 1.00 32.02 ? 34 LEU A CA 1 ATOM 522 C C . LEU A 1 34 ? 5.253 43.193 0.885 1.00 35.38 ? 34 LEU A C 1 ATOM 523 O O . LEU A 1 34 ? 4.180 43.524 0.423 1.00 34.71 ? 34 LEU A O 1 ATOM 524 C CB . LEU A 1 34 ? 6.074 43.584 3.210 1.00 31.57 ? 34 LEU A CB 1 ATOM 525 C CG . LEU A 1 34 ? 6.213 43.112 4.648 1.00 34.51 ? 34 LEU A CG 1 ATOM 526 C CD1 . LEU A 1 34 ? 6.944 44.142 5.461 1.00 35.24 ? 34 LEU A CD1 1 ATOM 527 C CD2 . LEU A 1 34 ? 4.862 42.794 5.286 1.00 35.02 ? 34 LEU A CD2 1 ATOM 528 H H . LEU A 1 34 ? 6.950 41.271 1.999 1.00 29.52 ? 34 LEU A H 1 ATOM 529 H HA . LEU A 1 34 ? 4.308 42.556 2.644 1.00 31.69 ? 34 LEU A HA 1 ATOM 530 H HB2 . LEU A 1 34 ? 7.069 43.769 2.809 1.00 31.02 ? 34 LEU A HB2 1 ATOM 531 H HB3 . LEU A 1 34 ? 5.520 44.521 3.229 1.00 31.51 ? 34 LEU A HB3 1 ATOM 532 H HG . LEU A 1 34 ? 6.810 42.203 4.660 1.00 34.87 ? 34 LEU A HG 1 ATOM 533 H HD11 . LEU A 1 34 ? 6.447 45.103 5.340 1.00 34.57 ? 34 LEU A HD11 1 ATOM 534 H HD12 . LEU A 1 34 ? 6.945 43.850 6.509 1.00 35.10 ? 34 LEU A HD12 1 ATOM 535 H HD13 . LEU A 1 34 ? 7.969 44.204 5.102 1.00 35.24 ? 34 LEU A HD13 1 ATOM 536 H HD21 . LEU A 1 34 ? 4.216 43.663 5.187 1.00 34.81 ? 34 LEU A HD21 1 ATOM 537 H HD22 . LEU A 1 34 ? 4.409 41.930 4.805 1.00 35.12 ? 34 LEU A HD22 1 ATOM 538 H HD23 . LEU A 1 34 ? 5.005 42.564 6.341 1.00 34.94 ? 34 LEU A HD23 1 ATOM 539 N N . ASN A 1 35 ? 6.362 43.278 0.190 1.00 33.85 ? 35 ASN A N 1 ATOM 540 C CA . ASN A 1 35 ? 6.319 43.823 -1.165 1.00 34.01 ? 35 ASN A CA 1 ATOM 541 C C . ASN A 1 35 ? 7.590 43.516 -1.886 1.00 39.05 ? 35 ASN A C 1 ATOM 542 O O . ASN A 1 35 ? 8.476 42.861 -1.337 1.00 39.58 ? 35 ASN A O 1 ATOM 543 C CB . ASN A 1 35 ? 6.039 45.368 -1.131 1.00 40.13 ? 35 ASN A CB 1 ATOM 544 C CG . ASN A 1 35 ? 7.069 46.241 -0.464 1.00 69.21 ? 35 ASN A CG 1 ATOM 545 O OD1 . ASN A 1 35 ? 8.261 46.190 -0.805 1.00 60.62 ? 35 ASN A OD1 1 ATOM 546 N ND2 . ASN A 1 35 ? 6.591 47.102 0.462 1.00 86.40 ? 35 ASN A ND2 1 ATOM 547 H H . ASN A 1 35 ? 7.280 42.998 0.522 1.00 33.68 ? 35 ASN A H 1 ATOM 548 H HA . ASN A 1 35 ? 5.510 43.349 -1.718 1.00 34.10 ? 35 ASN A HA 1 ATOM 549 H HB2 . ASN A 1 35 ? 5.950 45.739 -2.151 1.00 40.39 ? 35 ASN A HB2 1 ATOM 550 H HB3 . ASN A 1 35 ? 5.082 45.542 -0.643 1.00 39.52 ? 35 ASN A HB3 1 ATOM 551 H HD21 . ASN A 1 35 ? 5.596 47.266 0.573 1.00 86.49 ? 35 ASN A HD21 1 ATOM 552 N N . GLN A 1 36 ? 7.692 43.989 -3.108 1.00 37.95 ? 36 GLN A N 1 ATOM 553 C CA . GLN A 1 36 ? 8.886 43.853 -3.911 1.00 39.70 ? 36 GLN A CA 1 ATOM 554 C C . GLN A 1 36 ? 9.164 45.139 -4.669 1.00 46.53 ? 36 GLN A C 1 ATOM 555 O O . GLN A 1 36 ? 8.246 45.715 -5.229 1.00 45.46 ? 36 GLN A O 1 ATOM 556 C CB . GLN A 1 36 ? 8.729 42.705 -4.921 1.00 41.00 ? 36 GLN A CB 1 ATOM 557 C CG . GLN A 1 36 ? 10.015 42.468 -5.712 1.00 61.04 ? 36 GLN A CG 1 ATOM 558 C CD . GLN A 1 36 ? 9.960 41.236 -6.575 1.00 76.77 ? 36 GLN A CD 1 ATOM 559 O OE1 . GLN A 1 36 ? 8.940 40.526 -6.628 1.00 65.87 ? 36 GLN A OE1 1 ATOM 560 N NE2 . GLN A 1 36 ? 11.070 40.971 -7.272 1.00 61.09 ? 36 GLN A NE2 1 ATOM 561 H H . GLN A 1 36 ? 6.931 44.430 -3.613 1.00 39.25 ? 36 GLN A H 1 ATOM 562 H HA . GLN A 1 36 ? 9.743 43.638 -3.275 1.00 39.64 ? 36 GLN A HA 1 ATOM 563 H HB2 . GLN A 1 36 ? 8.480 41.793 -4.379 1.00 41.34 ? 36 GLN A HB2 1 ATOM 564 H HB3 . GLN A 1 36 ? 7.930 42.940 -5.623 1.00 39.68 ? 36 GLN A HB3 1 ATOM 565 H HG2 . GLN A 1 36 ? 10.204 43.310 -6.376 1.00 61.59 ? 36 GLN A HG2 1 ATOM 566 H HG3 . GLN A 1 36 ? 10.845 42.350 -5.017 1.00 60.67 ? 36 GLN A HG3 1 ATOM 567 H HE21 . GLN A 1 36 ? 11.879 41.579 -7.201 1.00 61.17 ? 36 GLN A HE21 1 ATOM 568 H HE22 . GLN A 1 36 ? 11.104 40.154 -7.874 1.00 61.17 ? 36 GLN A HE22 1 ATOM 569 N N . THR A 1 37 ? 10.439 45.543 -4.725 1.00 47.54 ? 37 THR A N 1 ATOM 570 C CA . THR A 1 37 ? 10.911 46.682 -5.512 1.00 49.09 ? 37 THR A CA 1 ATOM 571 C C . THR A 1 37 ? 12.167 46.219 -6.218 1.00 51.21 ? 37 THR A C 1 ATOM 572 O O . THR A 1 37 ? 13.176 45.962 -5.568 1.00 46.72 ? 37 THR A O 1 ATOM 573 C CB . THR A 1 37 ? 11.186 47.945 -4.662 1.00 66.79 ? 37 THR A CB 1 ATOM 574 O OG1 . THR A 1 37 ? 11.980 47.614 -3.521 1.00 75.59 ? 37 THR A OG1 1 ATOM 575 C CG2 . THR A 1 37 ? 9.914 48.615 -4.207 1.00 70.96 ? 37 THR A CG2 1 ATOM 576 H H . THR A 1 37 ? 11.185 45.098 -4.199 1.00 47.16 ? 37 THR A H 1 ATOM 577 H HA . THR A 1 37 ? 10.170 46.947 -6.265 1.00 49.33 ? 37 THR A HA 1 ATOM 578 H HB . THR A 1 37 ? 11.736 48.662 -5.271 1.00 65.65 ? 37 THR A HB 1 ATOM 579 H HG1 . THR A 1 37 ? 12.936 47.518 -3.775 1.00 76.05 ? 37 THR A HG1 1 ATOM 580 H HG21 . THR A 1 37 ? 9.275 48.821 -5.064 1.00 71.14 ? 37 THR A HG21 1 ATOM 581 H HG22 . THR A 1 37 ? 9.379 47.969 -3.513 1.00 71.22 ? 37 THR A HG22 1 ATOM 582 H HG23 . THR A 1 37 ? 10.146 49.552 -3.703 1.00 71.50 ? 37 THR A HG23 1 ATOM 583 N N . GLY A 1 38 ? 12.082 46.062 -7.541 1.00 51.20 ? 38 GLY A N 1 ATOM 584 C CA . GLY A 1 38 ? 13.205 45.618 -8.358 1.00 51.32 ? 38 GLY A CA 1 ATOM 585 C C . GLY A 1 38 ? 13.541 44.176 -8.017 1.00 53.02 ? 38 GLY A C 1 ATOM 586 O O . GLY A 1 38 ? 12.649 43.322 -8.028 1.00 52.72 ? 38 GLY A O 1 ATOM 587 H H . GLY A 1 38 ? 11.239 46.220 -8.083 1.00 51.79 ? 38 GLY A H 1 ATOM 588 H HA2 . GLY A 1 38 ? 12.943 45.672 -9.413 1.00 51.26 ? 38 GLY A HA2 1 ATOM 589 H HA3 . GLY A 1 38 ? 14.066 46.257 -8.165 1.00 51.23 ? 38 GLY A HA3 1 ATOM 590 N N . ASP A 1 39 ? 14.808 43.923 -7.655 1.00 48.92 ? 39 ASP A N 1 ATOM 591 C CA . ASP A 1 39 ? 15.263 42.576 -7.284 1.00 49.69 ? 39 ASP A CA 1 ATOM 592 C C . ASP A 1 39 ? 15.112 42.275 -5.784 1.00 48.89 ? 39 ASP A C 1 ATOM 593 O O . ASP A 1 39 ? 15.377 41.148 -5.385 1.00 48.83 ? 39 ASP A O 1 ATOM 594 C CB . ASP A 1 39 ? 16.732 42.390 -7.714 1.00 52.85 ? 39 ASP A CB 1 ATOM 595 C CG . ASP A 1 39 ? 16.938 42.492 -9.220 1.00 67.72 ? 39 ASP A CG 1 ATOM 596 O OD1 . ASP A 1 39 ? 16.000 42.103 -9.985 1.00 68.12 ? 39 ASP A OD1 1 ATOM 597 O OD2 . ASP A 1 39 ? 18.041 42.929 -9.641 1.00 71.61 ? 39 ASP A OD2 1 ATOM 598 H H . ASP A 1 39 ? 15.541 44.624 -7.607 1.00 47.70 ? 39 ASP A H 1 ATOM 599 H HA . ASP A 1 39 ? 14.673 41.826 -7.810 1.00 49.47 ? 39 ASP A HA 1 ATOM 600 H HB2 . ASP A 1 39 ? 17.342 43.155 -7.234 1.00 52.52 ? 39 ASP A HB2 1 ATOM 601 H HB3 . ASP A 1 39 ? 17.072 41.401 -7.409 1.00 52.81 ? 39 ASP A HB3 1 ATOM 602 N N . TRP A 1 40 ? 14.670 43.250 -4.963 1.00 41.24 ? 40 TRP A N 1 ATOM 603 C CA . TRP A 1 40 ? 14.557 43.071 -3.527 1.00 38.69 ? 40 TRP A CA 1 ATOM 604 C C . TRP A 1 40 ? 13.156 42.834 -3.060 1.00 41.00 ? 40 TRP A C 1 ATOM 605 O O . TRP A 1 40 ? 12.269 43.627 -3.354 1.00 43.04 ? 40 TRP A O 1 ATOM 606 C CB . TRP A 1 40 ? 15.150 44.271 -2.800 1.00 36.85 ? 40 TRP A CB 1 ATOM 607 C CG . TRP A 1 40 ? 16.625 44.390 -3.010 1.00 37.02 ? 40 TRP A CG 1 ATOM 608 C CD1 . TRP A 1 40 ? 17.255 44.990 -4.062 1.00 39.83 ? 40 TRP A CD1 1 ATOM 609 C CD2 . TRP A 1 40 ? 17.650 43.743 -2.242 1.00 36.23 ? 40 TRP A CD2 1 ATOM 610 N NE1 . TRP A 1 40 ? 18.616 44.769 -3.986 1.00 39.11 ? 40 TRP A NE1 1 ATOM 611 C CE2 . TRP A 1 40 ? 18.891 44.065 -2.843 1.00 40.09 ? 40 TRP A CE2 1 ATOM 612 C CE3 . TRP A 1 40 ? 17.641 42.917 -1.110 1.00 36.42 ? 40 TRP A CE3 1 ATOM 613 C CZ2 . TRP A 1 40 ? 20.108 43.596 -2.342 1.00 39.37 ? 40 TRP A CZ2 1 ATOM 614 C CZ3 . TRP A 1 40 ? 18.846 42.464 -0.599 1.00 37.79 ? 40 TRP A CZ3 1 ATOM 615 C CH2 . TRP A 1 40 ? 20.061 42.778 -1.222 1.00 39.16 ? 40 TRP A CH2 1 ATOM 616 H H . TRP A 1 40 ? 14.379 44.176 -5.260 1.00 41.94 ? 40 TRP A H 1 ATOM 617 H HA . TRP A 1 40 ? 15.168 42.224 -3.222 1.00 39.55 ? 40 TRP A HA 1 ATOM 618 H HB2 . TRP A 1 40 ? 14.669 45.180 -3.158 1.00 36.78 ? 40 TRP A HB2 1 ATOM 619 H HB3 . TRP A 1 40 ? 14.983 44.158 -1.730 1.00 37.55 ? 40 TRP A HB3 1 ATOM 620 H HD1 . TRP A 1 40 ? 16.751 45.565 -4.837 1.00 38.56 ? 40 TRP A HD1 1 ATOM 621 H HE1 . TRP A 1 40 ? 19.312 45.182 -4.598 1.00 39.96 ? 40 TRP A HE1 1 ATOM 622 H HE3 . TRP A 1 40 ? 16.700 42.662 -0.627 1.00 35.73 ? 40 TRP A HE3 1 ATOM 623 H HZ2 . TRP A 1 40 ? 21.051 43.837 -2.829 1.00 38.24 ? 40 TRP A HZ2 1 ATOM 624 H HZ3 . TRP A 1 40 ? 18.857 41.867 0.311 1.00 37.31 ? 40 TRP A HZ3 1 ATOM 625 H HH2 . TRP A 1 40 ? 20.992 42.438 -0.769 1.00 37.52 ? 40 TRP A HH2 1 ATOM 626 N N . VAL A 1 41 ? 12.959 41.771 -2.275 1.00 35.76 ? 41 VAL A N 1 ATOM 627 C CA . VAL A 1 41 ? 11.668 41.472 -1.659 1.00 33.90 ? 41 VAL A CA 1 ATOM 628 C C . VAL A 1 41 ? 11.742 41.967 -0.222 1.00 35.97 ? 41 VAL A C 1 ATOM 629 O O . VAL A 1 41 ? 12.708 41.672 0.472 1.00 35.74 ? 41 VAL A O 1 ATOM 630 C CB . VAL A 1 41 ? 11.340 39.958 -1.752 1.00 36.00 ? 41 VAL A CB 1 ATOM 631 C CG1 . VAL A 1 41 ? 10.154 39.585 -0.865 1.00 35.31 ? 41 VAL A CG1 1 ATOM 632 C CG2 . VAL A 1 41 ? 11.047 39.581 -3.204 1.00 35.83 ? 41 VAL A CG2 1 ATOM 633 H H . VAL A 1 41 ? 13.676 41.091 -2.040 1.00 35.25 ? 41 VAL A H 1 ATOM 634 H HA . VAL A 1 41 ? 10.862 42.001 -2.162 1.00 34.18 ? 41 VAL A HA 1 ATOM 635 H HB . VAL A 1 41 ? 12.203 39.386 -1.415 1.00 34.38 ? 41 VAL A HB 1 ATOM 636 H HG11 . VAL A 1 41 ? 9.338 40.282 -1.047 1.00 35.58 ? 41 VAL A HG11 1 ATOM 637 H HG12 . VAL A 1 41 ? 9.838 38.574 -1.116 1.00 36.04 ? 41 VAL A HG12 1 ATOM 638 H HG13 . VAL A 1 41 ? 10.447 39.615 0.183 1.00 35.50 ? 41 VAL A HG13 1 ATOM 639 H HG21 . VAL A 1 41 ? 11.905 39.836 -3.824 1.00 34.57 ? 41 VAL A HG21 1 ATOM 640 H HG22 . VAL A 1 41 ? 10.838 38.514 -3.265 1.00 36.03 ? 41 VAL A HG22 1 ATOM 641 H HG23 . VAL A 1 41 ? 10.171 40.135 -3.536 1.00 35.80 ? 41 VAL A HG23 1 ATOM 642 N N . THR A 1 42 ? 10.697 42.642 0.248 1.00 31.61 ? 42 THR A N 1 ATOM 643 C CA . THR A 1 42 ? 10.656 43.098 1.631 1.00 30.73 ? 42 THR A CA 1 ATOM 644 C C . THR A 1 42 ? 9.777 42.134 2.360 1.00 33.34 ? 42 THR A C 1 ATOM 645 O O . THR A 1 42 ? 8.677 41.820 1.908 1.00 32.48 ? 42 THR A O 1 ATOM 646 C CB . THR A 1 42 ? 10.181 44.568 1.779 1.00 36.17 ? 42 THR A CB 1 ATOM 647 O OG1 . THR A 1 42 ? 10.995 45.380 0.963 1.00 39.18 ? 42 THR A OG1 1 ATOM 648 C CG2 . THR A 1 42 ? 10.321 45.096 3.202 1.00 35.19 ? 42 THR A CG2 1 ATOM 649 H H . THR A 1 42 ? 9.865 42.873 -0.285 1.00 30.96 ? 42 THR A H 1 ATOM 650 H HA . THR A 1 42 ? 11.653 43.067 2.064 1.00 30.80 ? 42 THR A HA 1 ATOM 651 H HB . THR A 1 42 ? 9.142 44.664 1.468 1.00 35.55 ? 42 THR A HB 1 ATOM 652 H HG1 . THR A 1 42 ? 10.653 46.311 0.977 1.00 40.44 ? 42 THR A HG1 1 ATOM 653 H HG21 . THR A 1 42 ? 9.913 44.403 3.935 1.00 35.41 ? 42 THR A HG21 1 ATOM 654 H HG22 . THR A 1 42 ? 11.378 45.251 3.415 1.00 34.52 ? 42 THR A HG22 1 ATOM 655 H HG23 . THR A 1 42 ? 9.799 46.046 3.298 1.00 35.19 ? 42 THR A HG23 1 ATOM 656 N N . ARG A 1 43 ? 10.276 41.646 3.488 1.00 29.51 ? 43 ARG A N 1 ATOM 657 C CA . ARG A 1 43 ? 9.518 40.750 4.332 1.00 30.35 ? 43 ARG A CA 1 ATOM 658 C C . ARG A 1 43 ? 9.575 41.287 5.775 1.00 33.59 ? 43 ARG A C 1 ATOM 659 O O . ARG A 1 43 ? 10.495 42.015 6.149 1.00 32.44 ? 43 ARG A O 1 ATOM 660 C CB . ARG A 1 43 ? 10.113 39.331 4.326 1.00 27.39 ? 43 ARG A CB 1 ATOM 661 C CG . ARG A 1 43 ? 10.437 38.699 2.965 1.00 27.26 ? 43 ARG A CG 1 ATOM 662 C CD . ARG A 1 43 ? 10.884 37.228 3.181 1.00 32.15 ? 43 ARG A CD 1 ATOM 663 N NE . ARG A 1 43 ? 9.750 36.445 3.654 1.00 30.02 ? 43 ARG A NE 1 ATOM 664 C CZ . ARG A 1 43 ? 8.848 35.827 2.905 1.00 32.83 ? 43 ARG A CZ 1 ATOM 665 N NH1 . ARG A 1 43 ? 8.995 35.768 1.588 1.00 28.67 ? 43 ARG A NH1 1 ATOM 666 N NH2 . ARG A 1 43 ? 7.820 35.203 3.474 1.00 28.11 ? 43 ARG A NH2 1 ATOM 667 H H . ARG A 1 43 ? 11.199 41.862 3.852 1.00 27.76 ? 43 ARG A H 1 ATOM 668 H HA . ARG A 1 43 ? 8.478 40.696 4.016 1.00 29.93 ? 43 ARG A HA 1 ATOM 669 H HB2 . ARG A 1 43 ? 11.025 39.336 4.920 1.00 26.64 ? 43 ARG A HB2 1 ATOM 670 H HB3 . ARG A 1 43 ? 9.373 38.696 4.805 1.00 26.67 ? 43 ARG A HB3 1 ATOM 671 H HG2 . ARG A 1 43 ? 9.543 38.704 2.344 1.00 26.58 ? 43 ARG A HG2 1 ATOM 672 H HG3 . ARG A 1 43 ? 11.246 39.244 2.480 1.00 26.87 ? 43 ARG A HG3 1 ATOM 673 H HD2 . ARG A 1 43 ? 11.334 36.809 2.284 1.00 32.86 ? 43 ARG A HD2 1 ATOM 674 H HD3 . ARG A 1 43 ? 11.620 37.208 3.983 1.00 31.80 ? 43 ARG A HD3 1 ATOM 675 H HE . ARG A 1 43 ? 9.601 36.435 4.658 1.00 31.99 ? 43 ARG A HE 1 ATOM 676 H HH11 . ARG A 1 43 ? 9.734 36.251 1.087 1.00 28.02 ? 43 ARG A HH11 1 ATOM 677 H HH12 . ARG A 1 43 ? 8.288 35.283 1.044 1.00 30.09 ? 43 ARG A HH12 1 ATOM 678 H HH21 . ARG A 1 43 ? 7.714 35.185 4.482 1.00 26.19 ? 43 ARG A HH21 1 ATOM 679 H HH22 . ARG A 1 43 ? 7.155 34.696 2.899 1.00 28.78 ? 43 ARG A HH22 1 ATOM 680 N N . SER A 1 44 ? 8.631 40.878 6.575 1.00 30.66 ? 44 SER A N 1 ATOM 681 C CA . SER A 1 44 ? 8.652 41.167 8.005 1.00 31.48 ? 44 SER A CA 1 ATOM 682 C C . SER A 1 44 ? 9.222 39.965 8.754 1.00 34.78 ? 44 SER A C 1 ATOM 683 O O . SER A 1 44 ? 9.188 38.855 8.244 1.00 33.59 ? 44 SER A O 1 ATOM 684 C CB . SER A 1 44 ? 7.243 41.440 8.520 1.00 35.37 ? 44 SER A CB 1 ATOM 685 O OG . SER A 1 44 ? 6.438 40.281 8.396 1.00 44.10 ? 44 SER A OG 1 ATOM 686 H H . SER A 1 44 ? 7.811 40.368 6.263 1.00 30.07 ? 44 SER A H 1 ATOM 687 H HA . SER A 1 44 ? 9.262 42.041 8.215 1.00 32.67 ? 44 SER A HA 1 ATOM 688 H HB2 . SER A 1 44 ? 7.306 41.716 9.572 1.00 35.18 ? 44 SER A HB2 1 ATOM 689 H HB3 . SER A 1 44 ? 6.791 42.246 7.945 1.00 33.73 ? 44 SER A HB3 1 ATOM 690 H HG . SER A 1 44 ? 5.871 40.400 7.591 1.00 44.13 ? 44 SER A HG 1 ATOM 691 N N . LEU A 1 45 ? 9.775 40.199 9.941 1.00 31.91 ? 45 LEU A N 1 ATOM 692 C CA . LEU A 1 45 ? 10.208 39.173 10.858 1.00 31.19 ? 45 LEU A CA 1 ATOM 693 C C . LEU A 1 45 ? 9.279 39.352 12.051 1.00 33.85 ? 45 LEU A C 1 ATOM 694 O O . LEU A 1 45 ? 9.270 40.409 12.653 1.00 34.44 ? 45 LEU A O 1 ATOM 695 C CB . LEU A 1 45 ? 11.670 39.338 11.245 1.00 32.16 ? 45 LEU A CB 1 ATOM 696 C CG . LEU A 1 45 ? 12.212 38.276 12.200 1.00 36.32 ? 45 LEU A CG 1 ATOM 697 C CD1 . LEU A 1 45 ? 12.221 36.889 11.569 1.00 35.56 ? 45 LEU A CD1 1 ATOM 698 C CD2 . LEU A 1 45 ? 13.571 38.643 12.611 1.00 41.14 ? 45 LEU A CD2 1 ATOM 699 H H . LEU A 1 45 ? 9.942 41.134 10.296 1.00 32.90 ? 45 LEU A H 1 ATOM 700 H HA . LEU A 1 45 ? 10.056 38.185 10.426 1.00 31.25 ? 45 LEU A HA 1 ATOM 701 H HB2 . LEU A 1 45 ? 12.283 39.311 10.345 1.00 32.32 ? 45 LEU A HB2 1 ATOM 702 H HB3 . LEU A 1 45 ? 11.796 40.309 11.721 1.00 32.88 ? 45 LEU A HB3 1 ATOM 703 H HG . LEU A 1 45 ? 11.602 38.232 13.101 1.00 35.72 ? 45 LEU A HG 1 ATOM 704 H HD11 . LEU A 1 45 ? 12.791 36.929 10.642 1.00 35.27 ? 45 LEU A HD11 1 ATOM 705 H HD12 . LEU A 1 45 ? 12.680 36.186 12.263 1.00 34.79 ? 45 LEU A HD12 1 ATOM 706 H HD13 . LEU A 1 45 ? 11.204 36.560 11.365 1.00 35.93 ? 45 LEU A HD13 1 ATOM 707 H HD21 . LEU A 1 45 ? 13.525 39.601 13.128 1.00 40.73 ? 45 LEU A HD21 1 ATOM 708 H HD22 . LEU A 1 45 ? 13.965 37.863 13.261 1.00 41.08 ? 45 LEU A HD22 1 ATOM 709 H HD23 . LEU A 1 45 ? 14.188 38.734 11.719 1.00 41.96 ? 45 LEU A HD23 1 ATOM 710 N N . ILE A 1 46 ? 8.428 38.370 12.312 1.00 30.35 ? 46 ILE A N 1 ATOM 711 C CA . ILE A 1 46 ? 7.420 38.389 13.354 1.00 30.60 ? 46 ILE A CA 1 ATOM 712 C C . ILE A 1 46 ? 7.789 37.352 14.422 1.00 35.12 ? 46 ILE A C 1 ATOM 713 O O . ILE A 1 46 ? 8.202 36.243 14.102 1.00 33.49 ? 46 ILE A O 1 ATOM 714 C CB . ILE A 1 46 ? 6.028 38.070 12.747 1.00 33.83 ? 46 ILE A CB 1 ATOM 715 C CG1 . ILE A 1 46 ? 5.659 38.981 11.566 1.00 34.32 ? 46 ILE A CG1 1 ATOM 716 C CG2 . ILE A 1 46 ? 4.917 38.093 13.796 1.00 33.31 ? 46 ILE A CG2 1 ATOM 717 C CD1 . ILE A 1 46 ? 5.620 40.452 11.896 1.00 43.44 ? 46 ILE A CD1 1 ATOM 718 H H . ILE A 1 46 ? 8.410 37.499 11.792 1.00 31.82 ? 46 ILE A H 1 ATOM 719 H HA . ILE A 1 46 ? 7.363 39.373 13.813 1.00 31.83 ? 46 ILE A HA 1 ATOM 720 H HB . ILE A 1 46 ? 6.097 37.055 12.364 1.00 33.79 ? 46 ILE A HB 1 ATOM 721 H HG12 . ILE A 1 46 ? 6.379 38.828 10.764 1.00 35.67 ? 46 ILE A HG12 1 ATOM 722 H HG13 . ILE A 1 46 ? 4.675 38.694 11.199 1.00 33.20 ? 46 ILE A HG13 1 ATOM 723 H HG21 . ILE A 1 46 ? 5.015 38.991 14.403 1.00 33.49 ? 46 ILE A HG21 1 ATOM 724 H HG22 . ILE A 1 46 ? 3.953 38.084 13.289 1.00 31.83 ? 46 ILE A HG22 1 ATOM 725 H HG23 . ILE A 1 46 ? 4.999 37.205 14.420 1.00 33.76 ? 46 ILE A HG23 1 ATOM 726 H HD11 . ILE A 1 46 ? 4.958 40.623 12.742 1.00 43.21 ? 46 ILE A HD11 1 ATOM 727 H HD12 . ILE A 1 46 ? 6.625 40.799 12.132 1.00 43.29 ? 46 ILE A HD12 1 ATOM 728 H HD13 . ILE A 1 46 ? 5.250 40.991 11.026 1.00 43.47 ? 46 ILE A HD13 1 ATOM 729 N N . TYR A 1 47 ? 7.605 37.708 15.684 1.00 32.76 ? 47 TYR A N 1 ATOM 730 C CA . TYR A 1 47 ? 7.865 36.788 16.804 1.00 32.41 ? 47 TYR A CA 1 ATOM 731 C C . TYR A 1 47 ? 7.211 37.292 18.055 1.00 34.34 ? 47 TYR A C 1 ATOM 732 O O . TYR A 1 47 ? 6.699 38.402 18.077 1.00 32.35 ? 47 TYR A O 1 ATOM 733 C CB . TYR A 1 47 ? 9.370 36.578 17.022 1.00 32.11 ? 47 TYR A CB 1 ATOM 734 C CG . TYR A 1 47 ? 10.149 37.832 17.319 1.00 32.24 ? 47 TYR A CG 1 ATOM 735 C CD1 . TYR A 1 47 ? 10.556 38.679 16.297 1.00 34.16 ? 47 TYR A CD1 1 ATOM 736 C CD2 . TYR A 1 47 ? 10.518 38.156 18.623 1.00 33.52 ? 47 TYR A CD2 1 ATOM 737 C CE1 . TYR A 1 47 ? 11.268 39.850 16.566 1.00 35.35 ? 47 TYR A CE1 1 ATOM 738 C CE2 . TYR A 1 47 ? 11.235 39.309 18.904 1.00 32.65 ? 47 TYR A CE2 1 ATOM 739 C CZ . TYR A 1 47 ? 11.631 40.146 17.869 1.00 43.20 ? 47 TYR A CZ 1 ATOM 740 O OH . TYR A 1 47 ? 12.328 41.299 18.136 1.00 43.32 ? 47 TYR A OH 1 ATOM 741 H H . TYR A 1 47 ? 7.273 38.624 15.970 1.00 32.83 ? 47 TYR A H 1 ATOM 742 H HA . TYR A 1 47 ? 7.430 35.813 16.590 1.00 33.66 ? 47 TYR A HA 1 ATOM 743 H HB2 . TYR A 1 47 ? 9.515 35.890 17.853 1.00 31.79 ? 47 TYR A HB2 1 ATOM 744 H HB3 . TYR A 1 47 ? 9.796 36.149 16.118 1.00 33.16 ? 47 TYR A HB3 1 ATOM 745 H HD1 . TYR A 1 47 ? 10.281 38.451 15.269 1.00 34.82 ? 47 TYR A HD1 1 ATOM 746 H HD2 . TYR A 1 47 ? 10.235 37.503 19.447 1.00 33.95 ? 47 TYR A HD2 1 ATOM 747 H HE1 . TYR A 1 47 ? 11.568 40.507 15.751 1.00 34.47 ? 47 TYR A HE1 1 ATOM 748 H HE2 . TYR A 1 47 ? 11.496 39.539 19.935 1.00 32.03 ? 47 TYR A HE2 1 ATOM 749 H HH . TYR A 1 47 ? 12.047 42.017 17.510 1.00 42.79 ? 47 TYR A HH 1 ATOM 750 N N . VAL A 1 48 ? 7.182 36.469 19.066 1.00 33.98 ? 48 VAL A N 1 ATOM 751 C CA . VAL A 1 48 ? 6.724 36.878 20.384 1.00 36.00 ? 48 VAL A CA 1 ATOM 752 C C . VAL A 1 48 ? 7.929 36.846 21.344 1.00 38.55 ? 48 VAL A C 1 ATOM 753 O O . VAL A 1 48 ? 8.775 35.968 21.264 1.00 38.26 ? 48 VAL A O 1 ATOM 754 C CB . VAL A 1 48 ? 5.487 36.100 20.945 1.00 42.24 ? 48 VAL A CB 1 ATOM 755 C CG1 . VAL A 1 48 ? 4.309 36.212 19.994 1.00 43.02 ? 48 VAL A CG1 1 ATOM 756 C CG2 . VAL A 1 48 ? 5.799 34.644 21.234 1.00 42.84 ? 48 VAL A CG2 1 ATOM 757 H H . VAL A 1 48 ? 7.460 35.496 19.001 1.00 34.43 ? 48 VAL A H 1 ATOM 758 H HA . VAL A 1 48 ? 6.397 37.916 20.338 1.00 36.55 ? 48 VAL A HA 1 ATOM 759 H HB . VAL A 1 48 ? 5.180 36.552 21.887 1.00 41.09 ? 48 VAL A HB 1 ATOM 760 H HG11 . VAL A 1 48 ? 4.597 35.837 19.014 1.00 43.04 ? 48 VAL A HG11 1 ATOM 761 H HG12 . VAL A 1 48 ? 3.486 35.615 20.385 1.00 43.81 ? 48 VAL A HG12 1 ATOM 762 H HG13 . VAL A 1 48 ? 4.014 37.258 19.927 1.00 43.02 ? 48 VAL A HG13 1 ATOM 763 H HG21 . VAL A 1 48 ? 6.551 34.574 22.018 1.00 43.49 ? 48 VAL A HG21 1 ATOM 764 H HG22 . VAL A 1 48 ? 4.883 34.159 21.568 1.00 43.03 ? 48 VAL A HG22 1 ATOM 765 H HG23 . VAL A 1 48 ? 6.151 34.164 20.322 1.00 43.10 ? 48 VAL A HG23 1 ATOM 766 N N . PHE A 1 49 ? 8.030 37.849 22.197 1.00 35.22 ? 49 PHE A N 1 ATOM 767 C CA . PHE A 1 49 ? 9.011 37.896 23.270 1.00 34.89 ? 49 PHE A CA 1 ATOM 768 C C . PHE A 1 49 ? 8.155 37.664 24.514 1.00 40.84 ? 49 PHE A C 1 ATOM 769 O O . PHE A 1 49 ? 7.220 38.413 24.758 1.00 41.81 ? 49 PHE A O 1 ATOM 770 C CB . PHE A 1 49 ? 9.760 39.220 23.288 1.00 36.25 ? 49 PHE A CB 1 ATOM 771 C CG . PHE A 1 49 ? 10.894 39.199 24.277 1.00 37.91 ? 49 PHE A CG 1 ATOM 772 C CD1 . PHE A 1 49 ? 12.094 38.571 23.970 1.00 40.81 ? 49 PHE A CD1 1 ATOM 773 C CD2 . PHE A 1 49 ? 10.778 39.839 25.506 1.00 38.70 ? 49 PHE A CD2 1 ATOM 774 C CE1 . PHE A 1 49 ? 13.138 38.552 24.893 1.00 42.22 ? 49 PHE A CE1 1 ATOM 775 C CE2 . PHE A 1 49 ? 11.805 39.795 26.432 1.00 41.33 ? 49 PHE A CE2 1 ATOM 776 C CZ . PHE A 1 49 ? 12.983 39.165 26.124 1.00 40.52 ? 49 PHE A CZ 1 ATOM 777 H H . PHE A 1 49 ? 7.444 38.677 22.168 1.00 35.58 ? 49 PHE A H 1 ATOM 778 H HA . PHE A 1 49 ? 9.750 37.106 23.169 1.00 35.64 ? 49 PHE A HA 1 ATOM 779 H HB2 . PHE A 1 49 ? 10.175 39.402 22.297 1.00 34.81 ? 49 PHE A HB2 1 ATOM 780 H HB3 . PHE A 1 49 ? 9.075 40.021 23.562 1.00 36.69 ? 49 PHE A HB3 1 ATOM 781 H HD1 . PHE A 1 49 ? 12.218 38.086 23.004 1.00 40.01 ? 49 PHE A HD1 1 ATOM 782 H HD2 . PHE A 1 49 ? 9.839 40.321 25.774 1.00 38.90 ? 49 PHE A HD2 1 ATOM 783 H HE1 . PHE A 1 49 ? 14.075 38.057 24.640 1.00 42.18 ? 49 PHE A HE1 1 ATOM 784 H HE2 . PHE A 1 49 ? 11.686 40.287 27.396 1.00 42.12 ? 49 PHE A HE2 1 ATOM 785 H HZ . PHE A 1 49 ? 13.800 39.167 26.844 1.00 40.22 ? 49 PHE A HZ 1 ATOM 786 N N . THR A 1 50 ? 8.359 36.558 25.189 1.00 38.61 ? 50 THR A N 1 ATOM 787 C CA . THR A 1 50 ? 7.495 36.156 26.278 1.00 40.07 ? 50 THR A CA 1 ATOM 788 C C . THR A 1 50 ? 7.852 36.688 27.661 1.00 45.20 ? 50 THR A C 1 ATOM 789 O O . THR A 1 50 ? 7.025 36.559 28.548 1.00 47.58 ? 50 THR A O 1 ATOM 790 C CB . THR A 1 50 ? 7.407 34.639 26.337 1.00 43.77 ? 50 THR A CB 1 ATOM 791 O OG1 . THR A 1 50 ? 8.722 34.106 26.353 1.00 48.45 ? 50 THR A OG1 1 ATOM 792 C CG2 . THR A 1 50 ? 6.642 34.068 25.184 1.00 41.22 ? 50 THR A CG2 1 ATOM 793 H H . THR A 1 50 ? 9.128 35.917 25.020 1.00 38.99 ? 50 THR A H 1 ATOM 794 H HA . THR A 1 50 ? 6.487 36.503 26.058 1.00 40.86 ? 50 THR A HA 1 ATOM 795 H HB . THR A 1 50 ? 6.891 34.342 27.248 1.00 43.95 ? 50 THR A HB 1 ATOM 796 H HG1 . THR A 1 50 ? 8.695 33.116 26.271 1.00 48.80 ? 50 THR A HG1 1 ATOM 797 H HG21 . THR A 1 50 ? 5.694 34.590 25.058 1.00 40.94 ? 50 THR A HG21 1 ATOM 798 H HG22 . THR A 1 50 ? 7.228 34.156 24.270 1.00 41.16 ? 50 THR A HG22 1 ATOM 799 H HG23 . THR A 1 50 ? 6.441 33.014 25.370 1.00 41.62 ? 50 THR A HG23 1 ATOM 800 N N . PHE A 1 51 ? 8.995 37.318 27.852 1.00 39.15 ? 51 PHE A N 1 ATOM 801 C CA . PHE A 1 51 ? 9.348 37.791 29.181 1.00 39.08 ? 51 PHE A CA 1 ATOM 802 C C . PHE A 1 51 ? 8.903 39.241 29.439 1.00 41.54 ? 51 PHE A C 1 ATOM 803 O O . PHE A 1 51 ? 9.343 40.160 28.745 1.00 39.00 ? 51 PHE A O 1 ATOM 804 C CB . PHE A 1 51 ? 10.852 37.612 29.424 1.00 40.16 ? 51 PHE A CB 1 ATOM 805 C CG . PHE A 1 51 ? 11.233 37.849 30.853 1.00 41.03 ? 51 PHE A CG 1 ATOM 806 C CD1 . PHE A 1 51 ? 11.091 36.845 31.796 1.00 45.34 ? 51 PHE A CD1 1 ATOM 807 C CD2 . PHE A 1 51 ? 11.721 39.082 31.263 1.00 42.12 ? 51 PHE A CD2 1 ATOM 808 C CE1 . PHE A 1 51 ? 11.455 37.059 33.123 1.00 46.12 ? 51 PHE A CE1 1 ATOM 809 C CE2 . PHE A 1 51 ? 12.100 39.292 32.582 1.00 45.02 ? 51 PHE A CE2 1 ATOM 810 C CZ . PHE A 1 51 ? 11.972 38.277 33.506 1.00 44.12 ? 51 PHE A CZ 1 ATOM 811 H H . PHE A 1 51 ? 9.684 37.530 27.138 1.00 39.20 ? 51 PHE A H 1 ATOM 812 H HA . PHE A 1 51 ? 8.876 37.161 29.934 1.00 39.74 ? 51 PHE A HA 1 ATOM 813 H HB2 . PHE A 1 51 ? 11.116 36.581 29.199 1.00 39.41 ? 51 PHE A HB2 1 ATOM 814 H HB3 . PHE A 1 51 ? 11.421 38.291 28.791 1.00 40.04 ? 51 PHE A HB3 1 ATOM 815 H HD1 . PHE A 1 51 ? 10.707 35.873 31.491 1.00 45.67 ? 51 PHE A HD1 1 ATOM 816 H HD2 . PHE A 1 51 ? 11.840 39.887 30.539 1.00 42.31 ? 51 PHE A HD2 1 ATOM 817 H HE1 . PHE A 1 51 ? 11.360 36.252 33.848 1.00 46.18 ? 51 PHE A HE1 1 ATOM 818 H HE2 . PHE A 1 51 ? 12.506 40.258 32.877 1.00 44.84 ? 51 PHE A HE2 1 ATOM 819 H HZ . PHE A 1 51 ? 12.284 38.425 34.537 1.00 43.70 ? 51 PHE A HZ 1 ATOM 820 N N . ASP A 1 52 ? 8.038 39.419 30.460 1.00 37.50 ? 52 ASP A N 1 ATOM 821 C CA . ASP A 1 52 ? 7.537 40.709 30.940 1.00 35.74 ? 52 ASP A CA 1 ATOM 822 C C . ASP A 1 52 ? 6.838 41.538 29.851 1.00 39.35 ? 52 ASP A C 1 ATOM 823 O O . ASP A 1 52 ? 6.947 42.759 29.777 1.00 37.12 ? 52 ASP A O 1 ATOM 824 C CB . ASP A 1 52 ? 8.686 41.464 31.608 1.00 36.44 ? 52 ASP A CB 1 ATOM 825 C CG . ASP A 1 52 ? 8.285 42.432 32.721 1.00 41.87 ? 52 ASP A CG 1 ATOM 826 O OD1 . ASP A 1 52 ? 7.082 42.504 33.042 1.00 40.95 ? 52 ASP A OD1 1 ATOM 827 O OD2 . ASP A 1 52 ? 9.191 43.064 33.314 1.00 38.41 ? 52 ASP A OD2 1 ATOM 828 H H . ASP A 1 52 ? 7.660 38.649 31.002 1.00 37.79 ? 52 ASP A H 1 ATOM 829 H HA . ASP A 1 52 ? 6.793 40.482 31.702 1.00 37.04 ? 52 ASP A HA 1 ATOM 830 H HB2 . ASP A 1 52 ? 9.357 40.727 32.048 1.00 34.71 ? 52 ASP A HB2 1 ATOM 831 H HB3 . ASP A 1 52 ? 9.223 42.026 30.846 1.00 36.80 ? 52 ASP A HB3 1 ATOM 832 N N . THR A 1 53 ? 6.103 40.849 29.009 1.00 38.53 ? 53 THR A N 1 ATOM 833 C CA . THR A 1 53 ? 5.398 41.438 27.876 1.00 38.97 ? 53 THR A CA 1 ATOM 834 C C . THR A 1 53 ? 3.996 40.858 27.890 1.00 42.92 ? 53 THR A C 1 ATOM 835 O O . THR A 1 53 ? 3.815 39.714 28.287 1.00 43.32 ? 53 THR A O 1 ATOM 836 C CB . THR A 1 53 ? 6.163 41.081 26.566 1.00 51.17 ? 53 THR A CB 1 ATOM 837 O OG1 . THR A 1 53 ? 7.548 41.427 26.692 1.00 52.19 ? 53 THR A OG1 1 ATOM 838 C CG2 . THR A 1 53 ? 5.639 41.801 25.344 1.00 48.50 ? 53 THR A CG2 1 ATOM 839 H H . THR A 1 53 ? 5.968 39.845 29.079 1.00 39.63 ? 53 THR A H 1 ATOM 840 H HA . THR A 1 53 ? 5.331 42.521 27.972 1.00 38.06 ? 53 THR A HA 1 ATOM 841 H HB . THR A 1 53 ? 6.060 40.009 26.404 1.00 50.47 ? 53 THR A HB 1 ATOM 842 H HG1 . THR A 1 53 ? 8.041 40.714 27.175 1.00 51.80 ? 53 THR A HG1 1 ATOM 843 H HG21 . THR A 1 53 ? 5.759 42.875 25.471 1.00 48.40 ? 53 THR A HG21 1 ATOM 844 H HG22 . THR A 1 53 ? 6.217 41.497 24.474 1.00 48.42 ? 53 THR A HG22 1 ATOM 845 H HG23 . THR A 1 53 ? 4.589 41.566 25.178 1.00 48.40 ? 53 THR A HG23 1 ATOM 846 N N . GLU A 1 54 ? 3.008 41.646 27.489 1.00 40.36 ? 54 GLU A N 1 ATOM 847 C CA . GLU A 1 54 ? 1.619 41.197 27.456 1.00 40.70 ? 54 GLU A CA 1 ATOM 848 C C . GLU A 1 54 ? 1.448 40.058 26.424 1.00 45.34 ? 54 GLU A C 1 ATOM 849 O O . GLU A 1 54 ? 2.062 40.102 25.362 1.00 43.78 ? 54 GLU A O 1 ATOM 850 C CB . GLU A 1 54 ? 0.664 42.369 27.193 1.00 41.80 ? 54 GLU A CB 1 ATOM 851 C CG . GLU A 1 54 ? 0.628 43.371 28.331 1.00 44.69 ? 54 GLU A CG 1 ATOM 852 C CD . GLU A 1 54 ? 0.034 42.894 29.643 1.00 58.64 ? 54 GLU A CD 1 ATOM 853 O OE1 . GLU A 1 54 ? -0.452 41.743 29.726 1.00 58.89 ? 54 GLU A OE1 1 ATOM 854 O OE2 . GLU A 1 54 ? 0.046 43.693 30.601 1.00 52.67 ? 54 GLU A OE2 1 ATOM 855 H H . GLU A 1 54 ? 3.150 42.598 27.166 1.00 40.88 ? 54 GLU A H 1 ATOM 856 H HA . GLU A 1 54 ? 1.409 40.797 28.445 1.00 40.95 ? 54 GLU A HA 1 ATOM 857 H HB2 . GLU A 1 54 ? 0.992 42.907 26.306 1.00 42.11 ? 54 GLU A HB2 1 ATOM 858 H HB3 . GLU A 1 54 ? -0.341 41.983 27.034 1.00 42.05 ? 54 GLU A HB3 1 ATOM 859 H HG2 . GLU A 1 54 ? 1.642 43.705 28.543 1.00 44.14 ? 54 GLU A HG2 1 ATOM 860 H HG3 . GLU A 1 54 ? 0.035 44.223 28.004 1.00 44.74 ? 54 GLU A HG3 1 ATOM 861 N N . PRO A 1 55 ? 0.678 39.018 26.769 1.00 44.51 ? 55 PRO A N 1 ATOM 862 C CA . PRO A 1 55 ? 0.546 37.803 25.947 1.00 44.43 ? 55 PRO A CA 1 ATOM 863 C C . PRO A 1 55 ? 0.018 37.967 24.505 1.00 47.70 ? 55 PRO A C 1 ATOM 864 O O . PRO A 1 55 ? 0.280 37.088 23.691 1.00 48.55 ? 55 PRO A O 1 ATOM 865 C CB . PRO A 1 55 ? -0.371 36.903 26.786 1.00 46.33 ? 55 PRO A CB 1 ATOM 866 C CG . PRO A 1 55 ? -1.122 37.807 27.658 1.00 50.93 ? 55 PRO A CG 1 ATOM 867 C CD . PRO A 1 55 ? -0.245 38.993 27.927 1.00 46.74 ? 55 PRO A CD 1 ATOM 868 H HA . PRO A 1 55 ? 1.518 37.316 25.890 1.00 44.87 ? 55 PRO A HA 1 ATOM 869 H HB2 . PRO A 1 55 ? -1.048 36.344 26.143 1.00 46.59 ? 55 PRO A HB2 1 ATOM 870 H HB3 . PRO A 1 55 ? 0.241 36.229 27.384 1.00 45.20 ? 55 PRO A HB3 1 ATOM 871 H HG2 . PRO A 1 55 ? -2.035 38.122 27.155 1.00 50.68 ? 55 PRO A HG2 1 ATOM 872 H HG3 . PRO A 1 55 ? -1.353 37.291 28.589 1.00 50.61 ? 55 PRO A HG3 1 ATOM 873 H HD2 . PRO A 1 55 ? -0.856 39.894 27.954 1.00 46.86 ? 55 PRO A HD2 1 ATOM 874 H HD3 . PRO A 1 55 ? 0.305 38.851 28.856 1.00 46.32 ? 55 PRO A HD3 1 ATOM 875 N N . TRP A 1 56 ? -0.657 39.077 24.180 1.00 43.45 ? 56 TRP A N 1 ATOM 876 C CA . TRP A 1 56 ? -1.216 39.346 22.847 1.00 42.74 ? 56 TRP A CA 1 ATOM 877 C C . TRP A 1 56 ? -0.292 40.138 21.924 1.00 45.23 ? 56 TRP A C 1 ATOM 878 O O . TRP A 1 56 ? -0.665 40.413 20.783 1.00 45.13 ? 56 TRP A O 1 ATOM 879 C CB . TRP A 1 56 ? -2.538 40.155 22.982 1.00 41.04 ? 56 TRP A CB 1 ATOM 880 C CG . TRP A 1 56 ? -2.413 41.497 23.648 1.00 41.95 ? 56 TRP A CG 1 ATOM 881 C CD1 . TRP A 1 56 ? -2.170 42.699 23.048 1.00 44.73 ? 56 TRP A CD1 1 ATOM 882 C CD2 . TRP A 1 56 ? -2.674 41.785 25.028 1.00 41.71 ? 56 TRP A CD2 1 ATOM 883 N NE1 . TRP A 1 56 ? -2.142 43.703 23.997 1.00 43.65 ? 56 TRP A NE1 1 ATOM 884 C CE2 . TRP A 1 56 ? -2.438 43.165 25.221 1.00 45.06 ? 56 TRP A CE2 1 ATOM 885 C CE3 . TRP A 1 56 ? -3.011 40.995 26.136 1.00 43.20 ? 56 TRP A CE3 1 ATOM 886 C CZ2 . TRP A 1 56 ? -2.620 43.784 26.459 1.00 44.87 ? 56 TRP A CZ2 1 ATOM 887 C CZ3 . TRP A 1 56 ? -3.137 41.605 27.374 1.00 45.28 ? 56 TRP A CZ3 1 ATOM 888 C CH2 . TRP A 1 56 ? -2.965 42.990 27.521 1.00 45.59 ? 56 TRP A CH2 1 ATOM 889 H H . TRP A 1 56 ? -0.815 39.827 24.842 1.00 43.73 ? 56 TRP A H 1 ATOM 890 H HA . TRP A 1 56 ? -1.446 38.403 22.355 1.00 42.65 ? 56 TRP A HA 1 ATOM 891 H HB2 . TRP A 1 56 ? -2.953 40.331 21.991 1.00 39.66 ? 56 TRP A HB2 1 ATOM 892 H HB3 . TRP A 1 56 ? -3.233 39.567 23.579 1.00 40.71 ? 56 TRP A HB3 1 ATOM 893 H HD1 . TRP A 1 56 ? -1.916 42.820 21.997 1.00 44.82 ? 56 TRP A HD1 1 ATOM 894 H HE1 . TRP A 1 56 ? -1.969 44.686 23.814 1.00 43.17 ? 56 TRP A HE1 1 ATOM 895 H HE3 . TRP A 1 56 ? -3.132 39.918 26.033 1.00 42.54 ? 56 TRP A HE3 1 ATOM 896 H HZ2 . TRP A 1 56 ? -2.484 44.858 26.573 1.00 45.62 ? 56 TRP A HZ2 1 ATOM 897 H HZ3 . TRP A 1 56 ? -3.384 40.997 28.243 1.00 45.73 ? 56 TRP A HZ3 1 ATOM 898 H HH2 . TRP A 1 56 ? -3.057 43.436 28.510 1.00 45.43 ? 56 TRP A HH2 1 ATOM 899 N N . VAL A 1 57 ? 0.851 40.595 22.440 1.00 40.79 ? 57 VAL A N 1 ATOM 900 C CA . VAL A 1 57 ? 1.756 41.475 21.713 1.00 38.25 ? 57 VAL A CA 1 ATOM 901 C C . VAL A 1 57 ? 2.668 40.696 20.782 1.00 40.73 ? 57 VAL A C 1 ATOM 902 O O . VAL A 1 57 ? 3.375 39.791 21.220 1.00 38.90 ? 57 VAL A O 1 ATOM 903 C CB . VAL A 1 57 ? 2.553 42.342 22.720 1.00 40.50 ? 57 VAL A CB 1 ATOM 904 C CG1 . VAL A 1 57 ? 3.638 43.169 22.026 1.00 38.99 ? 57 VAL A CG1 1 ATOM 905 C CG2 . VAL A 1 57 ? 1.603 43.227 23.529 1.00 40.78 ? 57 VAL A CG2 1 ATOM 906 H H . VAL A 1 57 ? 1.198 40.354 23.362 1.00 41.37 ? 57 VAL A H 1 ATOM 907 H HA . VAL A 1 57 ? 1.166 42.170 21.119 1.00 38.94 ? 57 VAL A HA 1 ATOM 908 H HB . VAL A 1 57 ? 3.061 41.691 23.428 1.00 40.49 ? 57 VAL A HB 1 ATOM 909 H HG11 . VAL A 1 57 ? 3.188 43.745 21.219 1.00 39.18 ? 57 VAL A HG11 1 ATOM 910 H HG12 . VAL A 1 57 ? 4.080 43.842 22.758 1.00 38.84 ? 57 VAL A HG12 1 ATOM 911 H HG13 . VAL A 1 57 ? 4.420 42.523 21.630 1.00 38.04 ? 57 VAL A HG13 1 ATOM 912 H HG21 . VAL A 1 57 ? 0.886 42.603 24.060 1.00 40.33 ? 57 VAL A HG21 1 ATOM 913 H HG22 . VAL A 1 57 ? 2.179 43.809 24.247 1.00 40.45 ? 57 VAL A HG22 1 ATOM 914 H HG23 . VAL A 1 57 ? 1.069 43.890 22.851 1.00 40.70 ? 57 VAL A HG23 1 ATOM 915 N N . THR A 1 58 ? 2.746 41.134 19.529 1.00 39.52 ? 58 THR A N 1 ATOM 916 C CA . THR A 1 58 ? 3.672 40.548 18.555 1.00 39.96 ? 58 THR A CA 1 ATOM 917 C C . THR A 1 58 ? 4.816 41.557 18.320 1.00 39.54 ? 58 THR A C 1 ATOM 918 O O . THR A 1 58 ? 4.568 42.745 18.160 1.00 39.09 ? 58 THR A O 1 ATOM 919 C CB . THR A 1 58 ? 2.948 40.163 17.228 1.00 47.77 ? 58 THR A CB 1 ATOM 920 O OG1 . THR A 1 58 ? 2.755 41.309 16.433 1.00 55.61 ? 58 THR A OG1 1 ATOM 921 C CG2 . THR A 1 58 ? 1.617 39.535 17.448 1.00 49.04 ? 58 THR A CG2 1 ATOM 922 H H . THR A 1 58 ? 2.197 41.898 19.148 1.00 39.59 ? 58 THR A H 1 ATOM 923 H HA . THR A 1 58 ? 4.113 39.632 18.947 1.00 39.96 ? 58 THR A HA 1 ATOM 924 H HB . THR A 1 58 ? 3.566 39.457 16.675 1.00 46.79 ? 58 THR A HB 1 ATOM 925 H HG1 . THR A 1 58 ? 2.718 41.050 15.474 1.00 56.12 ? 58 THR A HG1 1 ATOM 926 H HG21 . THR A 1 58 ? 1.692 38.762 18.213 1.00 49.62 ? 58 THR A HG21 1 ATOM 927 H HG22 . THR A 1 58 ? 0.894 40.289 17.759 1.00 48.76 ? 58 THR A HG22 1 ATOM 928 H HG23 . THR A 1 58 ? 1.264 39.085 16.521 1.00 49.74 ? 58 THR A HG23 1 ATOM 929 N N . GLN A 1 59 ? 6.048 41.069 18.285 1.00 34.36 ? 59 GLN A N 1 ATOM 930 C CA . GLN A 1 59 ? 7.232 41.865 17.973 1.00 34.15 ? 59 GLN A CA 1 ATOM 931 C C . GLN A 1 59 ? 7.383 41.796 16.460 1.00 39.24 ? 59 GLN A C 1 ATOM 932 O O . GLN A 1 59 ? 7.126 40.732 15.879 1.00 38.50 ? 59 GLN A O 1 ATOM 933 C CB . GLN A 1 59 ? 8.482 41.256 18.619 1.00 34.81 ? 59 GLN A CB 1 ATOM 934 C CG . GLN A 1 59 ? 8.363 41.005 20.108 1.00 45.03 ? 59 GLN A CG 1 ATOM 935 C CD . GLN A 1 59 ? 8.064 42.226 20.936 1.00 44.52 ? 59 GLN A CD 1 ATOM 936 O OE1 . GLN A 1 59 ? 7.293 42.183 21.909 1.00 37.74 ? 59 GLN A OE1 1 ATOM 937 N NE2 . GLN A 1 59 ? 8.811 43.258 20.713 1.00 24.10 ? 59 GLN A NE2 1 ATOM 938 H H . GLN A 1 59 ? 6.260 40.089 18.438 1.00 34.91 ? 59 GLN A H 1 ATOM 939 H HA . GLN A 1 59 ? 7.116 42.900 18.286 1.00 35.15 ? 59 GLN A HA 1 ATOM 940 H HB2 . GLN A 1 59 ? 8.652 40.285 18.158 1.00 35.96 ? 59 GLN A HB2 1 ATOM 941 H HB3 . GLN A 1 59 ? 9.340 41.893 18.415 1.00 34.18 ? 59 GLN A HB3 1 ATOM 942 H HG2 . GLN A 1 59 ? 7.588 40.264 20.297 1.00 44.47 ? 59 GLN A HG2 1 ATOM 943 H HG3 . GLN A 1 59 ? 9.321 40.622 20.456 1.00 46.12 ? 59 GLN A HG3 1 ATOM 944 H HE21 . GLN A 1 59 ? 9.587 43.234 20.060 1.00 24.13 ? 59 GLN A HE21 1 ATOM 945 H HE22 . GLN A 1 59 ? 8.648 44.104 21.246 1.00 24.13 ? 59 GLN A HE22 1 ATOM 946 N N . ALA A 1 60 ? 7.813 42.886 15.826 1.00 34.41 ? 60 ALA A N 1 ATOM 947 C CA . ALA A 1 60 ? 7.951 42.914 14.382 1.00 35.20 ? 60 ALA A CA 1 ATOM 948 C C . ALA A 1 60 ? 9.162 43.686 13.914 1.00 41.09 ? 60 ALA A C 1 ATOM 949 O O . ALA A 1 60 ? 9.438 44.773 14.383 1.00 41.58 ? 60 ALA A O 1 ATOM 950 C CB . ALA A 1 60 ? 6.694 43.458 13.712 1.00 35.43 ? 60 ALA A CB 1 ATOM 951 H H . ALA A 1 60 ? 8.085 43.746 16.290 1.00 35.96 ? 60 ALA A H 1 ATOM 952 H HA . ALA A 1 60 ? 8.047 41.891 14.026 1.00 36.05 ? 60 ALA A HA 1 ATOM 953 H HB1 . ALA A 1 60 ? 6.491 44.460 14.085 1.00 34.97 ? 60 ALA A HB1 1 ATOM 954 H HB2 . ALA A 1 60 ? 6.863 43.486 12.637 1.00 33.85 ? 60 ALA A HB2 1 ATOM 955 H HB3 . ALA A 1 60 ? 5.859 42.795 13.934 1.00 35.24 ? 60 ALA A HB3 1 ATOM 956 N N . GLY A 1 61 ? 9.866 43.109 12.956 1.00 37.13 ? 61 GLY A N 1 ATOM 957 C CA . GLY A 1 61 ? 11.033 43.677 12.343 1.00 35.48 ? 61 GLY A CA 1 ATOM 958 C C . GLY A 1 61 ? 10.836 43.556 10.859 1.00 37.96 ? 61 GLY A C 1 ATOM 959 O O . GLY A 1 61 ? 9.808 43.056 10.405 1.00 36.71 ? 61 GLY A O 1 ATOM 960 H H . GLY A 1 61 ? 9.640 42.196 12.575 1.00 37.95 ? 61 GLY A H 1 ATOM 961 H HA2 . GLY A 1 61 ? 11.154 44.728 12.597 1.00 36.29 ? 61 GLY A HA2 1 ATOM 962 H HA3 . GLY A 1 61 ? 11.924 43.125 12.637 1.00 34.61 ? 61 GLY A HA3 1 ATOM 963 N N . ALA A 1 62 ? 11.802 44.019 10.112 1.00 35.50 ? 62 ALA A N 1 ATOM 964 C CA . ALA A 1 62 ? 11.757 43.975 8.669 1.00 35.09 ? 62 ALA A CA 1 ATOM 965 C C . ALA A 1 62 ? 13.117 43.823 8.080 1.00 35.70 ? 62 ALA A C 1 ATOM 966 O O . ALA A 1 62 ? 14.129 44.179 8.691 1.00 33.80 ? 62 ALA A O 1 ATOM 967 C CB . ALA A 1 62 ? 11.074 45.187 8.105 1.00 35.20 ? 62 ALA A CB 1 ATOM 968 H H . ALA A 1 62 ? 12.649 44.433 10.490 1.00 37.33 ? 62 ALA A H 1 ATOM 969 H HA . ALA A 1 62 ? 11.182 43.103 8.365 1.00 36.46 ? 62 ALA A HA 1 ATOM 970 H HB1 . ALA A 1 62 ? 11.615 46.071 8.438 1.00 34.97 ? 62 ALA A HB1 1 ATOM 971 H HB2 . ALA A 1 62 ? 11.082 45.127 7.018 1.00 33.34 ? 62 ALA A HB2 1 ATOM 972 H HB3 . ALA A 1 62 ? 10.049 45.194 8.470 1.00 34.70 ? 62 ALA A HB3 1 ATOM 973 N N . PHE A 1 63 ? 13.125 43.191 6.906 1.00 30.46 ? 63 PHE A N 1 ATOM 974 C CA . PHE A 1 63 ? 14.341 42.933 6.166 1.00 29.03 ? 63 PHE A CA 1 ATOM 975 C C . PHE A 1 63 ? 14.024 42.782 4.685 1.00 32.47 ? 63 PHE A C 1 ATOM 976 O O . PHE A 1 63 ? 12.881 42.597 4.291 1.00 31.87 ? 63 PHE A O 1 ATOM 977 C CB . PHE A 1 63 ? 15.077 41.694 6.735 1.00 29.23 ? 63 PHE A CB 1 ATOM 978 C CG . PHE A 1 63 ? 14.343 40.378 6.637 1.00 29.84 ? 63 PHE A CG 1 ATOM 979 C CD1 . PHE A 1 63 ? 13.393 40.018 7.589 1.00 30.02 ? 63 PHE A CD1 1 ATOM 980 C CD2 . PHE A 1 63 ? 14.589 39.505 5.587 1.00 31.02 ? 63 PHE A CD2 1 ATOM 981 C CE1 . PHE A 1 63 ? 12.683 38.821 7.474 1.00 31.52 ? 63 PHE A CE1 1 ATOM 982 C CE2 . PHE A 1 63 ? 13.863 38.315 5.467 1.00 30.92 ? 63 PHE A CE2 1 ATOM 983 C CZ . PHE A 1 63 ? 12.947 37.963 6.438 1.00 29.78 ? 63 PHE A CZ 1 ATOM 984 H H . PHE A 1 63 ? 12.287 42.858 6.439 1.00 29.88 ? 63 PHE A H 1 ATOM 985 H HA . PHE A 1 63 ? 15.006 43.789 6.264 1.00 30.68 ? 63 PHE A HA 1 ATOM 986 H HB2 . PHE A 1 63 ? 16.011 41.569 6.191 1.00 29.74 ? 63 PHE A HB2 1 ATOM 987 H HB3 . PHE A 1 63 ? 15.284 41.870 7.789 1.00 28.64 ? 63 PHE A HB3 1 ATOM 988 H HD1 . PHE A 1 63 ? 13.177 40.694 8.416 1.00 29.02 ? 63 PHE A HD1 1 ATOM 989 H HD2 . PHE A 1 63 ? 15.331 39.769 4.836 1.00 30.36 ? 63 PHE A HD2 1 ATOM 990 H HE1 . PHE A 1 63 ? 11.926 38.555 8.210 1.00 31.11 ? 63 PHE A HE1 1 ATOM 991 H HE2 . PHE A 1 63 ? 14.060 37.629 4.647 1.00 30.12 ? 63 PHE A HE2 1 ATOM 992 H HZ . PHE A 1 63 ? 12.393 37.031 6.348 1.00 30.15 ? 63 PHE A HZ 1 ATOM 993 N N . GLN A 1 64 ? 15.031 42.885 3.874 1.00 31.38 ? 64 GLN A N 1 ATOM 994 C CA . GLN A 1 64 ? 14.877 42.670 2.457 1.00 32.28 ? 64 GLN A CA 1 ATOM 995 C C . GLN A 1 64 ? 15.770 41.487 2.029 1.00 35.40 ? 64 GLN A C 1 ATOM 996 O O . GLN A 1 64 ? 16.818 41.263 2.620 1.00 31.93 ? 64 GLN A O 1 ATOM 997 C CB . GLN A 1 64 ? 15.263 43.927 1.676 1.00 34.28 ? 64 GLN A CB 1 ATOM 998 C CG . GLN A 1 64 ? 14.353 45.096 1.951 1.00 42.11 ? 64 GLN A CG 1 ATOM 999 C CD . GLN A 1 64 ? 14.692 46.211 1.010 1.00 54.75 ? 64 GLN A CD 1 ATOM 1000 O OE1 . GLN A 1 64 ? 14.049 46.416 -0.016 1.00 55.12 ? 64 GLN A OE1 1 ATOM 1001 N NE2 . GLN A 1 64 ? 15.809 46.824 1.248 1.00 42.44 ? 64 GLN A NE2 1 ATOM 1002 H H . GLN A 1 64 ? 15.976 43.117 4.160 1.00 31.27 ? 64 GLN A H 1 ATOM 1003 H HA . GLN A 1 64 ? 13.845 42.420 2.228 1.00 30.67 ? 64 GLN A HA 1 ATOM 1004 H HB2 . GLN A 1 64 ? 16.286 44.206 1.926 1.00 32.98 ? 64 GLN A HB2 1 ATOM 1005 H HB3 . GLN A 1 64 ? 15.186 43.712 0.612 1.00 35.06 ? 64 GLN A HB3 1 ATOM 1006 H HG2 . GLN A 1 64 ? 13.314 44.804 1.811 1.00 41.23 ? 64 GLN A HG2 1 ATOM 1007 H HG3 . GLN A 1 64 ? 14.529 45.439 2.968 1.00 42.20 ? 64 GLN A HG3 1 ATOM 1008 H HE21 . GLN A 1 64 ? 16.399 46.524 2.016 1.00 42.44 ? 64 GLN A HE21 1 ATOM 1009 H HE22 . GLN A 1 64 ? 16.105 47.589 0.651 1.00 42.44 ? 64 GLN A HE22 1 ATOM 1010 N N . VAL A 1 65 ? 15.334 40.752 1.005 1.00 33.56 ? 65 VAL A N 1 ATOM 1011 C CA . VAL A 1 65 ? 16.073 39.620 0.454 1.00 34.64 ? 65 VAL A CA 1 ATOM 1012 C C . VAL A 1 65 ? 16.149 39.679 -1.061 1.00 38.31 ? 65 VAL A C 1 ATOM 1013 O O . VAL A 1 65 ? 15.206 40.084 -1.740 1.00 38.45 ? 65 VAL A O 1 ATOM 1014 C CB . VAL A 1 65 ? 15.543 38.227 0.943 1.00 39.19 ? 65 VAL A CB 1 ATOM 1015 C CG1 . VAL A 1 65 ? 15.633 38.123 2.449 1.00 39.98 ? 65 VAL A CG1 1 ATOM 1016 C CG2 . VAL A 1 65 ? 14.111 37.988 0.516 1.00 39.52 ? 65 VAL A CG2 1 ATOM 1017 H H . VAL A 1 65 ? 14.460 40.939 0.523 1.00 33.47 ? 65 VAL A H 1 ATOM 1018 H HA . VAL A 1 65 ? 17.100 39.715 0.799 1.00 34.46 ? 65 VAL A HA 1 ATOM 1019 H HB . VAL A 1 65 ? 16.154 37.434 0.513 1.00 37.11 ? 65 VAL A HB 1 ATOM 1020 H HG11 . VAL A 1 65 ? 16.560 38.583 2.788 1.00 40.61 ? 65 VAL A HG11 1 ATOM 1021 H HG12 . VAL A 1 65 ? 14.787 38.678 2.848 1.00 40.53 ? 65 VAL A HG12 1 ATOM 1022 H HG13 . VAL A 1 65 ? 15.580 37.081 2.760 1.00 40.01 ? 65 VAL A HG13 1 ATOM 1023 H HG21 . VAL A 1 65 ? 13.484 38.814 0.849 1.00 40.18 ? 65 VAL A HG21 1 ATOM 1024 H HG22 . VAL A 1 65 ? 14.061 37.882 -0.567 1.00 39.94 ? 65 VAL A HG22 1 ATOM 1025 H HG23 . VAL A 1 65 ? 13.764 37.071 0.990 1.00 40.36 ? 65 VAL A HG23 1 ATOM 1026 N N . LYS A 1 66 ? 17.253 39.197 -1.578 1.00 35.17 ? 66 LYS A N 1 ATOM 1027 C CA . LYS A 1 66 ? 17.512 39.102 -3.003 1.00 34.77 ? 66 LYS A CA 1 ATOM 1028 C C . LYS A 1 66 ? 18.017 37.697 -3.316 1.00 36.82 ? 66 LYS A C 1 ATOM 1029 O O . LYS A 1 66 ? 18.933 37.227 -2.655 1.00 35.29 ? 66 LYS A O 1 ATOM 1030 C CB . LYS A 1 66 ? 18.591 40.124 -3.431 1.00 36.79 ? 66 LYS A CB 1 ATOM 1031 C CG . LYS A 1 66 ? 18.762 40.276 -4.932 1.00 36.43 ? 66 LYS A CG 1 ATOM 1032 C CD . LYS A 1 66 ? 19.907 41.175 -5.328 1.00 51.92 ? 66 LYS A CD 1 ATOM 1033 C CE . LYS A 1 66 ? 21.265 40.583 -5.029 1.00 79.08 ? 66 LYS A CE 1 ATOM 1034 N NZ . LYS A 1 66 ? 22.360 41.289 -5.754 1.00 97.87 ? 66 LYS A NZ 1 ATOM 1035 H H . LYS A 1 66 ? 18.024 38.851 -1.016 1.00 36.11 ? 66 LYS A H 1 ATOM 1036 H HA . LYS A 1 66 ? 16.612 39.306 -3.583 1.00 36.04 ? 66 LYS A HA 1 ATOM 1037 H HB2 . LYS A 1 66 ? 18.305 41.102 -3.052 1.00 38.05 ? 66 LYS A HB2 1 ATOM 1038 H HB3 . LYS A 1 66 ? 19.545 39.833 -2.998 1.00 36.05 ? 66 LYS A HB3 1 ATOM 1039 H HG2 . LYS A 1 66 ? 18.938 39.300 -5.382 1.00 36.57 ? 66 LYS A HG2 1 ATOM 1040 H HG3 . LYS A 1 66 ? 17.852 40.716 -5.333 1.00 35.37 ? 66 LYS A HG3 1 ATOM 1041 H HD2 . LYS A 1 66 ? 19.849 41.362 -6.399 1.00 51.62 ? 66 LYS A HD2 1 ATOM 1042 H HD3 . LYS A 1 66 ? 19.820 42.112 -4.781 1.00 52.07 ? 66 LYS A HD3 1 ATOM 1043 H HE2 . LYS A 1 66 ? 21.465 40.673 -3.963 1.00 78.95 ? 66 LYS A HE2 1 ATOM 1044 H HE3 . LYS A 1 66 ? 21.281 39.536 -5.328 1.00 79.10 ? 66 LYS A HE3 1 ATOM 1045 H HZ1 . LYS A 1 66 ? 22.394 42.262 -5.467 1.00 97.99 ? 66 LYS A HZ1 1 ATOM 1046 H HZ2 . LYS A 1 66 ? 23.253 40.854 -5.544 1.00 97.70 ? 66 LYS A HZ2 1 ATOM 1047 H HZ3 . LYS A 1 66 ? 22.201 41.246 -6.755 1.00 98.00 ? 66 LYS A HZ3 1 ATOM 1048 N N . TRP A 1 67 ? 17.473 37.066 -4.368 1.00 35.48 ? 67 TRP A N 1 ATOM 1049 C CA . TRP A 1 67 ? 17.980 35.788 -4.868 1.00 35.89 ? 67 TRP A CA 1 ATOM 1050 C C . TRP A 1 67 ? 18.087 35.801 -6.396 1.00 39.30 ? 67 TRP A C 1 ATOM 1051 O O . TRP A 1 67 ? 17.075 35.870 -7.077 1.00 38.52 ? 67 TRP A O 1 ATOM 1052 C CB . TRP A 1 67 ? 17.124 34.622 -4.415 1.00 34.24 ? 67 TRP A CB 1 ATOM 1053 C CG . TRP A 1 67 ? 17.624 33.294 -4.899 1.00 34.30 ? 67 TRP A CG 1 ATOM 1054 C CD1 . TRP A 1 67 ? 18.822 32.703 -4.604 1.00 36.77 ? 67 TRP A CD1 1 ATOM 1055 C CD2 . TRP A 1 67 ? 16.934 32.393 -5.778 1.00 33.76 ? 67 TRP A CD2 1 ATOM 1056 N NE1 . TRP A 1 67 ? 18.907 31.475 -5.223 1.00 35.83 ? 67 TRP A NE1 1 ATOM 1057 C CE2 . TRP A 1 67 ? 17.750 31.248 -5.926 1.00 36.40 ? 67 TRP A CE2 1 ATOM 1058 C CE3 . TRP A 1 67 ? 15.768 32.497 -6.558 1.00 34.46 ? 67 TRP A CE3 1 ATOM 1059 C CZ2 . TRP A 1 67 ? 17.384 30.181 -6.731 1.00 34.51 ? 67 TRP A CZ2 1 ATOM 1060 C CZ3 . TRP A 1 67 ? 15.431 31.446 -7.395 1.00 35.52 ? 67 TRP A CZ3 1 ATOM 1061 C CH2 . TRP A 1 67 ? 16.230 30.302 -7.465 1.00 35.78 ? 67 TRP A CH2 1 ATOM 1062 H H . TRP A 1 67 ? 16.682 37.419 -4.897 1.00 35.55 ? 67 TRP A H 1 ATOM 1063 H HA . TRP A 1 67 ? 18.977 35.602 -4.473 1.00 36.06 ? 67 TRP A HA 1 ATOM 1064 H HB2 . TRP A 1 67 ? 17.125 34.598 -3.326 1.00 34.97 ? 67 TRP A HB2 1 ATOM 1065 H HB3 . TRP A 1 67 ? 16.109 34.762 -4.784 1.00 34.64 ? 67 TRP A HB3 1 ATOM 1066 H HD1 . TRP A 1 67 ? 19.534 33.080 -3.872 1.00 35.56 ? 67 TRP A HD1 1 ATOM 1067 H HE1 . TRP A 1 67 ? 19.650 30.797 -5.089 1.00 36.15 ? 67 TRP A HE1 1 ATOM 1068 H HE3 . TRP A 1 67 ? 15.093 33.342 -6.437 1.00 34.78 ? 67 TRP A HE3 1 ATOM 1069 H HZ2 . TRP A 1 67 ? 18.066 29.348 -6.892 1.00 35.67 ? 67 TRP A HZ2 1 ATOM 1070 H HZ3 . TRP A 1 67 ? 14.470 31.456 -7.908 1.00 34.89 ? 67 TRP A HZ3 1 ATOM 1071 H HH2 . TRP A 1 67 ? 15.937 29.493 -8.132 1.00 36.92 ? 67 TRP A HH2 1 ATOM 1072 N N . GLU A 1 68 ? 19.314 35.755 -6.915 1.00 38.65 ? 68 GLU A N 1 ATOM 1073 C CA . GLU A 1 68 ? 19.568 35.628 -8.365 1.00 40.19 ? 68 GLU A CA 1 ATOM 1074 C C . GLU A 1 68 ? 19.290 34.138 -8.728 1.00 43.09 ? 68 GLU A C 1 ATOM 1075 O O . GLU A 1 68 ? 19.694 33.266 -7.960 1.00 40.16 ? 68 GLU A O 1 ATOM 1076 C CB . GLU A 1 68 ? 21.032 35.941 -8.710 1.00 41.37 ? 68 GLU A CB 1 ATOM 1077 C CG . GLU A 1 68 ? 21.488 37.352 -8.383 1.00 57.97 ? 68 GLU A CG 1 ATOM 1078 C CD . GLU A 1 68 ? 21.289 38.343 -9.514 1.00 88.46 ? 68 GLU A CD 1 ATOM 1079 O OE1 . GLU A 1 68 ? 20.199 38.331 -10.133 1.00 81.73 ? 68 GLU A OE1 1 ATOM 1080 O OE2 . GLU A 1 68 ? 22.238 39.109 -9.800 1.00 89.75 ? 68 GLU A OE2 1 ATOM 1081 H H . GLU A 1 68 ? 20.162 35.802 -6.357 1.00 37.55 ? 68 GLU A H 1 ATOM 1082 H HA . GLU A 1 68 ? 18.925 36.311 -8.914 1.00 40.73 ? 68 GLU A HA 1 ATOM 1083 H HB2 . GLU A 1 68 ? 21.670 35.263 -8.146 1.00 41.92 ? 68 GLU A HB2 1 ATOM 1084 H HB3 . GLU A 1 68 ? 21.169 35.774 -9.777 1.00 40.98 ? 68 GLU A HB3 1 ATOM 1085 H HG2 . GLU A 1 68 ? 20.938 37.724 -7.520 1.00 58.00 ? 68 GLU A HG2 1 ATOM 1086 H HG3 . GLU A 1 68 ? 22.552 37.326 -8.153 1.00 57.90 ? 68 GLU A HG3 1 ATOM 1087 N N . PRO A 1 69 ? 18.634 33.845 -9.866 1.00 41.78 ? 69 PRO A N 1 ATOM 1088 C CA . PRO A 1 69 ? 18.344 32.440 -10.236 1.00 41.13 ? 69 PRO A CA 1 ATOM 1089 C C . PRO A 1 69 ? 19.550 31.516 -10.224 1.00 39.53 ? 69 PRO A C 1 ATOM 1090 O O . PRO A 1 69 ? 20.658 31.874 -10.670 1.00 36.47 ? 69 PRO A O 1 ATOM 1091 C CB . PRO A 1 69 ? 17.705 32.559 -11.611 1.00 44.05 ? 69 PRO A CB 1 ATOM 1092 C CG . PRO A 1 69 ? 17.036 33.907 -11.585 1.00 47.66 ? 69 PRO A CG 1 ATOM 1093 C CD . PRO A 1 69 ? 17.957 34.788 -10.785 1.00 43.46 ? 69 PRO A CD 1 ATOM 1094 H HA . PRO A 1 69 ? 17.585 32.048 -9.561 1.00 41.44 ? 69 PRO A HA 1 ATOM 1095 H HB2 . PRO A 1 69 ? 18.482 32.519 -12.373 1.00 44.15 ? 69 PRO A HB2 1 ATOM 1096 H HB3 . PRO A 1 69 ? 16.971 31.765 -11.743 1.00 43.99 ? 69 PRO A HB3 1 ATOM 1097 H HG2 . PRO A 1 69 ? 16.931 34.286 -12.601 1.00 47.04 ? 69 PRO A HG2 1 ATOM 1098 H HG3 . PRO A 1 69 ? 16.068 33.821 -11.093 1.00 46.45 ? 69 PRO A HG3 1 ATOM 1099 H HD2 . PRO A 1 69 ? 18.685 35.276 -11.431 1.00 42.78 ? 69 PRO A HD2 1 ATOM 1100 H HD3 . PRO A 1 69 ? 17.361 35.508 -10.226 1.00 43.52 ? 69 PRO A HD3 1 ATOM 1101 N N . TYR A 1 70 ? 19.355 30.360 -9.555 1.00 35.91 ? 70 TYR A N 1 ATOM 1102 C CA . TYR A 1 70 ? 20.367 29.325 -9.351 1.00 33.93 ? 70 TYR A CA 1 ATOM 1103 C C . TYR A 1 70 ? 21.529 29.774 -8.500 1.00 38.60 ? 70 TYR A C 1 ATOM 1104 O O . TYR A 1 70 ? 22.553 29.099 -8.479 1.00 39.67 ? 70 TYR A O 1 ATOM 1105 C CB . TYR A 1 70 ? 20.837 28.733 -10.680 1.00 34.05 ? 70 TYR A CB 1 ATOM 1106 C CG . TYR A 1 70 ? 19.703 28.073 -11.421 1.00 35.62 ? 70 TYR A CG 1 ATOM 1107 C CD1 . TYR A 1 70 ? 19.237 26.823 -11.040 1.00 37.09 ? 70 TYR A CD1 1 ATOM 1108 C CD2 . TYR A 1 70 ? 19.142 28.663 -12.553 1.00 37.19 ? 70 TYR A CD2 1 ATOM 1109 C CE1 . TYR A 1 70 ? 18.197 26.198 -11.717 1.00 39.32 ? 70 TYR A CE1 1 ATOM 1110 C CE2 . TYR A 1 70 ? 18.097 28.039 -13.251 1.00 38.37 ? 70 TYR A CE2 1 ATOM 1111 C CZ . TYR A 1 70 ? 17.622 26.811 -12.820 1.00 48.23 ? 70 TYR A CZ 1 ATOM 1112 O OH . TYR A 1 70 ? 16.595 26.155 -13.462 1.00 52.97 ? 70 TYR A OH 1 ATOM 1113 H H . TYR A 1 70 ? 18.457 30.078 -9.177 1.00 35.43 ? 70 TYR A H 1 ATOM 1114 H HA . TYR A 1 70 ? 19.882 28.515 -8.815 1.00 34.64 ? 70 TYR A HA 1 ATOM 1115 H HB2 . TYR A 1 70 ? 21.272 29.505 -11.310 1.00 34.35 ? 70 TYR A HB2 1 ATOM 1116 H HB3 . TYR A 1 70 ? 21.574 27.955 -10.492 1.00 33.67 ? 70 TYR A HB3 1 ATOM 1117 H HD1 . TYR A 1 70 ? 19.662 26.352 -10.157 1.00 36.71 ? 70 TYR A HD1 1 ATOM 1118 H HD2 . TYR A 1 70 ? 19.506 29.634 -12.887 1.00 35.21 ? 70 TYR A HD2 1 ATOM 1119 H HE1 . TYR A 1 70 ? 17.830 25.231 -11.376 1.00 39.33 ? 70 TYR A HE1 1 ATOM 1120 H HE2 . TYR A 1 70 ? 17.647 28.523 -14.116 1.00 38.22 ? 70 TYR A HE2 1 ATOM 1121 H HH . TYR A 1 70 ? 16.342 26.621 -14.301 1.00 53.79 ? 70 TYR A HH 1 ATOM 1122 N N . SER A 1 71 ? 21.382 30.856 -7.715 1.00 34.93 ? 71 SER A N 1 ATOM 1123 C CA . SER A 1 71 ? 22.502 31.236 -6.848 1.00 33.29 ? 71 SER A CA 1 ATOM 1124 C C . SER A 1 71 ? 22.484 30.372 -5.598 1.00 36.50 ? 71 SER A C 1 ATOM 1125 O O . SER A 1 71 ? 21.407 30.013 -5.121 1.00 35.72 ? 71 SER A O 1 ATOM 1126 C CB . SER A 1 71 ? 22.438 32.703 -6.458 1.00 33.86 ? 71 SER A CB 1 ATOM 1127 O OG . SER A 1 71 ? 23.530 33.008 -5.606 1.00 37.55 ? 71 SER A OG 1 ATOM 1128 H H . SER A 1 71 ? 20.559 31.442 -7.625 1.00 34.23 ? 71 SER A H 1 ATOM 1129 H HA . SER A 1 71 ? 23.439 31.097 -7.384 1.00 33.15 ? 71 SER A HA 1 ATOM 1130 H HB2 . SER A 1 71 ? 22.508 33.305 -7.363 1.00 33.79 ? 71 SER A HB2 1 ATOM 1131 H HB3 . SER A 1 71 ? 21.501 32.904 -5.941 1.00 34.34 ? 71 SER A HB3 1 ATOM 1132 H HG . SER A 1 71 ? 23.387 33.890 -5.173 1.00 37.98 ? 71 SER A HG 1 ATOM 1133 N N . PRO A 1 72 ? 23.653 30.052 -5.054 1.00 34.68 ? 72 PRO A N 1 ATOM 1134 C CA . PRO A 1 72 ? 23.698 29.298 -3.807 1.00 36.04 ? 72 PRO A CA 1 ATOM 1135 C C . PRO A 1 72 ? 23.598 30.240 -2.626 1.00 40.21 ? 72 PRO A C 1 ATOM 1136 O O . PRO A 1 72 ? 23.558 29.766 -1.510 1.00 39.04 ? 72 PRO A O 1 ATOM 1137 C CB . PRO A 1 72 ? 25.046 28.551 -3.865 1.00 37.82 ? 72 PRO A CB 1 ATOM 1138 C CG . PRO A 1 72 ? 25.866 29.290 -4.798 1.00 41.22 ? 72 PRO A CG 1 ATOM 1139 C CD . PRO A 1 72 ? 24.961 30.049 -5.731 1.00 36.51 ? 72 PRO A CD 1 ATOM 1140 H HA . PRO A 1 72 ? 22.900 28.560 -3.749 1.00 36.53 ? 72 PRO A HA 1 ATOM 1141 H HB2 . PRO A 1 72 ? 25.508 28.534 -2.879 1.00 37.06 ? 72 PRO A HB2 1 ATOM 1142 H HB3 . PRO A 1 72 ? 24.874 27.541 -4.233 1.00 37.79 ? 72 PRO A HB3 1 ATOM 1143 H HG2 . PRO A 1 72 ? 26.506 29.979 -4.246 1.00 40.04 ? 72 PRO A HG2 1 ATOM 1144 H HG3 . PRO A 1 72 ? 26.466 28.579 -5.364 1.00 40.86 ? 72 PRO A HG3 1 ATOM 1145 H HD2 . PRO A 1 72 ? 25.318 31.066 -5.883 1.00 35.84 ? 72 PRO A HD2 1 ATOM 1146 H HD3 . PRO A 1 72 ? 24.862 29.508 -6.669 1.00 37.10 ? 72 PRO A HD3 1 ATOM 1147 N N . LEU A 1 73 ? 23.565 31.567 -2.862 1.00 38.58 ? 73 LEU A N 1 ATOM 1148 C CA . LEU A 1 73 ? 23.460 32.559 -1.812 1.00 38.76 ? 73 LEU A CA 1 ATOM 1149 C C . LEU A 1 73 ? 22.145 33.293 -1.799 1.00 38.58 ? 73 LEU A C 1 ATOM 1150 O O . LEU A 1 73 ? 21.657 33.736 -2.836 1.00 37.44 ? 73 LEU A O 1 ATOM 1151 C CB . LEU A 1 73 ? 24.560 33.594 -1.985 1.00 39.76 ? 73 LEU A CB 1 ATOM 1152 C CG . LEU A 1 73 ? 25.980 33.079 -1.981 1.00 46.67 ? 73 LEU A CG 1 ATOM 1153 C CD1 . LEU A 1 73 ? 26.941 34.234 -1.995 1.00 48.60 ? 73 LEU A CD1 1 ATOM 1154 C CD2 . LEU A 1 73 ? 26.253 32.196 -0.787 1.00 49.58 ? 73 LEU A CD2 1 ATOM 1155 H H . LEU A 1 73 ? 23.645 32.011 -3.771 1.00 38.88 ? 73 LEU A H 1 ATOM 1156 H HA . LEU A 1 73 ? 23.600 32.087 -0.842 1.00 39.51 ? 73 LEU A HA 1 ATOM 1157 H HB2 . LEU A 1 73 ? 24.406 34.097 -2.938 1.00 39.77 ? 73 LEU A HB2 1 ATOM 1158 H HB3 . LEU A 1 73 ? 24.473 34.320 -1.177 1.00 39.96 ? 73 LEU A HB3 1 ATOM 1159 H HG . LEU A 1 73 ? 26.147 32.490 -2.881 1.00 47.23 ? 73 LEU A HG 1 ATOM 1160 H HD11 . LEU A 1 73 ? 26.798 34.821 -1.088 1.00 48.54 ? 73 LEU A HD11 1 ATOM 1161 H HD12 . LEU A 1 73 ? 27.960 33.854 -2.041 1.00 48.80 ? 73 LEU A HD12 1 ATOM 1162 H HD13 . LEU A 1 73 ? 26.730 34.845 -2.872 1.00 48.65 ? 73 LEU A HD13 1 ATOM 1163 H HD21 . LEU A 1 73 ? 25.842 32.673 0.101 1.00 49.12 ? 73 LEU A HD21 1 ATOM 1164 H HD22 . LEU A 1 73 ? 25.785 31.225 -0.943 1.00 49.38 ? 73 LEU A HD22 1 ATOM 1165 H HD23 . LEU A 1 73 ? 27.328 32.061 -0.678 1.00 49.87 ? 73 LEU A HD23 1 ATOM 1166 N N . LEU A 1 74 ? 21.614 33.490 -0.605 1.00 33.68 ? 74 LEU A N 1 ATOM 1167 C CA . LEU A 1 74 ? 20.482 34.373 -0.360 1.00 32.65 ? 74 LEU A CA 1 ATOM 1168 C C . LEU A 1 74 ? 21.099 35.668 0.214 1.00 34.73 ? 74 LEU A C 1 ATOM 1169 O O . LEU A 1 74 ? 21.802 35.615 1.221 1.00 32.43 ? 74 LEU A O 1 ATOM 1170 C CB . LEU A 1 74 ? 19.516 33.770 0.661 1.00 33.17 ? 74 LEU A CB 1 ATOM 1171 C CG . LEU A 1 74 ? 18.265 34.559 0.977 1.00 37.35 ? 74 LEU A CG 1 ATOM 1172 C CD1 . LEU A 1 74 ? 17.399 34.720 -0.270 1.00 39.42 ? 74 LEU A CD1 1 ATOM 1173 C CD2 . LEU A 1 74 ? 17.493 33.891 2.049 1.00 38.71 ? 74 LEU A CD2 1 ATOM 1174 H H . LEU A 1 74 ? 21.943 33.033 0.238 1.00 34.25 ? 74 LEU A H 1 ATOM 1175 H HA . LEU A 1 74 ? 19.950 34.592 -1.283 1.00 32.80 ? 74 LEU A HA 1 ATOM 1176 H HB2 . LEU A 1 74 ? 19.193 32.795 0.301 1.00 33.50 ? 74 LEU A HB2 1 ATOM 1177 H HB3 . LEU A 1 74 ? 20.057 33.654 1.599 1.00 34.03 ? 74 LEU A HB3 1 ATOM 1178 H HG . LEU A 1 74 ? 18.537 35.548 1.343 1.00 36.87 ? 74 LEU A HG 1 ATOM 1179 H HD11 . LEU A 1 74 ? 17.346 33.763 -0.785 1.00 39.73 ? 74 LEU A HD11 1 ATOM 1180 H HD12 . LEU A 1 74 ? 16.400 35.052 0.013 1.00 39.66 ? 74 LEU A HD12 1 ATOM 1181 H HD13 . LEU A 1 74 ? 17.854 35.461 -0.924 1.00 39.71 ? 74 LEU A HD13 1 ATOM 1182 H HD21 . LEU A 1 74 ? 18.092 33.873 2.959 1.00 38.02 ? 74 LEU A HD21 1 ATOM 1183 H HD22 . LEU A 1 74 ? 16.568 34.438 2.224 1.00 38.82 ? 74 LEU A HD22 1 ATOM 1184 H HD23 . LEU A 1 74 ? 17.266 32.874 1.734 1.00 38.92 ? 74 LEU A HD23 1 ATOM 1185 N N . ARG A 1 75 ? 20.816 36.811 -0.398 1.00 34.21 ? 75 ARG A N 1 ATOM 1186 C CA . ARG A 1 75 ? 21.320 38.116 0.091 1.00 35.63 ? 75 ARG A CA 1 ATOM 1187 C C . ARG A 1 75 ? 20.273 38.695 1.056 1.00 34.34 ? 75 ARG A C 1 ATOM 1188 O O . ARG A 1 75 ? 19.108 38.698 0.724 1.00 31.11 ? 75 ARG A O 1 ATOM 1189 C CB . ARG A 1 75 ? 21.576 39.092 -1.078 1.00 38.71 ? 75 ARG A CB 1 ATOM 1190 C CG . ARG A 1 75 ? 23.004 39.089 -1.607 1.00 59.52 ? 75 ARG A CG 1 ATOM 1191 C CD . ARG A 1 75 ? 23.438 37.785 -2.237 1.00 75.32 ? 75 ARG A CD 1 ATOM 1192 N NE . ARG A 1 75 ? 24.903 37.672 -2.254 1.00 90.79 ? 75 ARG A NE 1 ATOM 1193 C CZ . ARG A 1 75 ? 25.684 37.564 -3.331 1.00 110.60 ? 75 ARG A CZ 1 ATOM 1194 N NH1 . ARG A 1 75 ? 25.155 37.546 -4.555 1.00 103.01 ? 75 ARG A NH1 1 ATOM 1195 N NH2 . ARG A 1 75 ? 27.001 37.468 -3.194 1.00 99.97 ? 75 ARG A NH2 1 ATOM 1196 H H . ARG A 1 75 ? 20.213 36.877 -1.212 1.00 33.42 ? 75 ARG A H 1 ATOM 1197 H HA . ARG A 1 75 ? 22.263 37.987 0.622 1.00 35.76 ? 75 ARG A HA 1 ATOM 1198 H HB2 . ARG A 1 75 ? 20.939 38.813 -1.913 1.00 39.22 ? 75 ARG A HB2 1 ATOM 1199 H HB3 . ARG A 1 75 ? 21.352 40.106 -0.752 1.00 38.14 ? 75 ARG A HB3 1 ATOM 1200 H HG2 . ARG A 1 75 ? 23.088 39.862 -2.369 1.00 59.65 ? 75 ARG A HG2 1 ATOM 1201 H HG3 . ARG A 1 75 ? 23.681 39.310 -0.783 1.00 60.22 ? 75 ARG A HG3 1 ATOM 1202 H HD2 . ARG A 1 75 ? 23.080 36.951 -1.637 1.00 75.64 ? 75 ARG A HD2 1 ATOM 1203 H HD3 . ARG A 1 75 ? 22.995 37.726 -3.229 1.00 75.41 ? 75 ARG A HD3 1 ATOM 1204 H HE . ARG A 1 75 ? 25.362 37.677 -1.348 1.00 90.82 ? 75 ARG A HE 1 ATOM 1205 H HH11 . ARG A 1 75 ? 24.160 37.616 -4.738 1.00 103.05 ? 75 ARG A HH11 1 ATOM 1206 H HH12 . ARG A 1 75 ? 25.774 37.461 -5.355 1.00 103.12 ? 75 ARG A HH12 1 ATOM 1207 H HH21 . ARG A 1 75 ? 27.419 37.477 -2.270 1.00 99.99 ? 75 ARG A HH21 1 ATOM 1208 H HH22 . ARG A 1 75 ? 27.598 37.381 -4.010 1.00 100.11 ? 75 ARG A HH22 1 ATOM 1209 N N . VAL A 1 76 ? 20.688 39.168 2.229 1.00 32.07 ? 76 VAL A N 1 ATOM 1210 C CA . VAL A 1 76 ? 19.759 39.698 3.241 1.00 32.40 ? 76 VAL A CA 1 ATOM 1211 C C . VAL A 1 76 ? 20.200 41.105 3.639 1.00 36.97 ? 76 VAL A C 1 ATOM 1212 O O . VAL A 1 76 ? 21.355 41.273 3.967 1.00 37.08 ? 76 VAL A O 1 ATOM 1213 C CB . VAL A 1 76 ? 19.655 38.742 4.477 1.00 35.21 ? 76 VAL A CB 1 ATOM 1214 C CG1 . VAL A 1 76 ? 18.801 39.347 5.601 1.00 34.78 ? 76 VAL A CG1 1 ATOM 1215 C CG2 . VAL A 1 76 ? 19.126 37.365 4.068 1.00 34.48 ? 76 VAL A CG2 1 ATOM 1216 H H . VAL A 1 76 ? 21.663 39.225 2.504 1.00 31.00 ? 76 VAL A H 1 ATOM 1217 H HA . VAL A 1 76 ? 18.753 39.763 2.832 1.00 33.15 ? 76 VAL A HA 1 ATOM 1218 H HB . VAL A 1 76 ? 20.655 38.586 4.877 1.00 35.63 ? 76 VAL A HB 1 ATOM 1219 H HG11 . VAL A 1 76 ? 17.863 39.705 5.178 1.00 35.36 ? 76 VAL A HG11 1 ATOM 1220 H HG12 . VAL A 1 76 ? 18.601 38.581 6.348 1.00 33.97 ? 76 VAL A HG12 1 ATOM 1221 H HG13 . VAL A 1 76 ? 19.335 40.172 6.069 1.00 34.17 ? 76 VAL A HG13 1 ATOM 1222 H HG21 . VAL A 1 76 ? 19.802 36.921 3.339 1.00 33.83 ? 76 VAL A HG21 1 ATOM 1223 H HG22 . VAL A 1 76 ? 19.074 36.733 4.954 1.00 34.08 ? 76 VAL A HG22 1 ATOM 1224 H HG23 . VAL A 1 76 ? 18.133 37.467 3.636 1.00 33.51 ? 76 VAL A HG23 1 ATOM 1225 N N . LYS A 1 77 ? 19.305 42.117 3.541 1.00 33.47 ? 77 LYS A N 1 ATOM 1226 C CA . LYS A 1 77 ? 19.562 43.486 4.026 1.00 33.43 ? 77 LYS A CA 1 ATOM 1227 C C . LYS A 1 77 ? 18.557 43.681 5.158 1.00 34.82 ? 77 LYS A C 1 ATOM 1228 O O . LYS A 1 77 ? 17.393 43.995 4.940 1.00 33.33 ? 77 LYS A O 1 ATOM 1229 C CB . LYS A 1 77 ? 19.396 44.569 2.938 1.00 35.79 ? 77 LYS A CB 1 ATOM 1230 C CG . LYS A 1 77 ? 20.521 44.581 1.932 1.00 49.94 ? 77 LYS A CG 1 ATOM 1231 C CD . LYS A 1 77 ? 20.545 45.814 0.996 1.00 51.16 ? 77 LYS A CD 1 ATOM 1232 C CE . LYS A 1 77 ? 19.225 46.199 0.390 1.00 62.28 ? 77 LYS A CE 1 ATOM 1233 N NZ . LYS A 1 77 ? 19.365 47.277 -0.632 1.00 73.17 ? 77 LYS A NZ 1 ATOM 1234 H H . LYS A 1 77 ? 18.387 42.019 3.119 1.00 32.86 ? 77 LYS A H 1 ATOM 1235 H HA . LYS A 1 77 ? 20.568 43.572 4.434 1.00 33.01 ? 77 LYS A HA 1 ATOM 1236 H HB2 . LYS A 1 77 ? 18.465 44.385 2.405 1.00 35.89 ? 77 LYS A HB2 1 ATOM 1237 H HB3 . LYS A 1 77 ? 19.375 45.549 3.413 1.00 35.20 ? 77 LYS A HB3 1 ATOM 1238 H HG2 . LYS A 1 77 ? 21.461 44.574 2.481 1.00 50.15 ? 77 LYS A HG2 1 ATOM 1239 H HG3 . LYS A 1 77 ? 20.453 43.683 1.321 1.00 50.04 ? 77 LYS A HG3 1 ATOM 1240 H HD2 . LYS A 1 77 ? 20.909 46.666 1.568 1.00 51.02 ? 77 LYS A HD2 1 ATOM 1241 H HD3 . LYS A 1 77 ? 21.226 45.608 0.172 1.00 50.68 ? 77 LYS A HD3 1 ATOM 1242 H HE2 . LYS A 1 77 ? 18.786 45.326 -0.090 1.00 62.55 ? 77 LYS A HE2 1 ATOM 1243 H HE3 . LYS A 1 77 ? 18.568 46.574 1.173 1.00 62.06 ? 77 LYS A HE3 1 ATOM 1244 H HZ1 . LYS A 1 77 ? 20.015 46.989 -1.357 1.00 73.30 ? 77 LYS A HZ1 1 ATOM 1245 H HZ2 . LYS A 1 77 ? 18.463 47.473 -1.056 1.00 73.06 ? 77 LYS A HZ2 1 ATOM 1246 H HZ3 . LYS A 1 77 ? 19.713 48.126 -0.198 1.00 73.08 ? 77 LYS A HZ3 1 ATOM 1247 N N . ALA A 1 78 ? 18.976 43.330 6.339 1.00 33.81 ? 78 ALA A N 1 ATOM 1248 C CA . ALA A 1 78 ? 18.138 43.394 7.515 1.00 34.50 ? 78 ALA A CA 1 ATOM 1249 C C . ALA A 1 78 ? 18.201 44.768 8.168 1.00 40.37 ? 78 ALA A C 1 ATOM 1250 O O . ALA A 1 78 ? 19.233 45.444 8.124 1.00 38.30 ? 78 ALA A O 1 ATOM 1251 C CB . ALA A 1 78 ? 18.544 42.324 8.521 1.00 34.85 ? 78 ALA A CB 1 ATOM 1252 H H . ALA A 1 78 ? 19.922 43.010 6.522 1.00 35.17 ? 78 ALA A H 1 ATOM 1253 H HA . ALA A 1 78 ? 17.102 43.217 7.238 1.00 34.38 ? 78 ALA A HA 1 ATOM 1254 H HB1 . ALA A 1 78 ? 19.629 42.221 8.536 1.00 33.59 ? 78 ALA A HB1 1 ATOM 1255 H HB2 . ALA A 1 78 ? 18.191 42.620 9.508 1.00 34.80 ? 78 ALA A HB2 1 ATOM 1256 H HB3 . ALA A 1 78 ? 18.074 41.381 8.245 1.00 33.39 ? 78 ALA A HB3 1 ATOM 1257 N N . SER A 1 79 ? 17.092 45.153 8.813 1.00 37.22 ? 79 SER A N 1 ATOM 1258 C CA . SER A 1 79 ? 17.050 46.402 9.555 1.00 36.09 ? 79 SER A CA 1 ATOM 1259 C C . SER A 1 79 ? 18.119 46.386 10.650 1.00 38.46 ? 79 SER A C 1 ATOM 1260 O O . SER A 1 79 ? 18.623 45.339 11.081 1.00 35.21 ? 79 SER A O 1 ATOM 1261 C CB . SER A 1 79 ? 15.678 46.603 10.191 1.00 37.52 ? 79 SER A CB 1 ATOM 1262 O OG . SER A 1 79 ? 15.475 45.651 11.224 1.00 44.74 ? 79 SER A OG 1 ATOM 1263 H H . SER A 1 79 ? 16.231 44.615 8.841 1.00 36.50 ? 79 SER A H 1 ATOM 1264 H HA . SER A 1 79 ? 17.250 47.232 8.880 1.00 36.53 ? 79 SER A HA 1 ATOM 1265 H HB2 . SER A 1 79 ? 15.631 47.606 10.613 1.00 37.43 ? 79 SER A HB2 1 ATOM 1266 H HB3 . SER A 1 79 ? 14.907 46.494 9.431 1.00 36.21 ? 79 SER A HB3 1 ATOM 1267 H HG . SER A 1 79 ? 14.534 45.695 11.542 1.00 44.76 ? 79 SER A HG 1 ATOM 1268 N N . ASP A 1 80 ? 18.469 47.564 11.091 1.00 37.78 ? 80 ASP A N 1 ATOM 1269 C CA . ASP A 1 80 ? 19.449 47.727 12.159 1.00 37.09 ? 80 ASP A CA 1 ATOM 1270 C C . ASP A 1 80 ? 19.021 46.947 13.418 1.00 39.82 ? 80 ASP A C 1 ATOM 1271 O O . ASP A 1 80 ? 19.847 46.289 14.055 1.00 37.07 ? 80 ASP A O 1 ATOM 1272 C CB . ASP A 1 80 ? 19.586 49.221 12.457 1.00 38.97 ? 80 ASP A CB 1 ATOM 1273 C CG . ASP A 1 80 ? 20.634 49.509 13.478 1.00 42.54 ? 80 ASP A CG 1 ATOM 1274 O OD1 . ASP A 1 80 ? 20.370 49.281 14.678 1.00 45.24 ? 80 ASP A OD1 1 ATOM 1275 O OD2 . ASP A 1 80 ? 21.745 49.908 13.083 1.00 43.11 ? 80 ASP A OD2 1 ATOM 1276 H H . ASP A 1 80 ? 18.095 48.433 10.722 1.00 38.29 ? 80 ASP A H 1 ATOM 1277 H HA . ASP A 1 80 ? 20.414 47.339 11.838 1.00 36.86 ? 80 ASP A HA 1 ATOM 1278 H HB2 . ASP A 1 80 ? 19.849 49.744 11.539 1.00 38.55 ? 80 ASP A HB2 1 ATOM 1279 H HB3 . ASP A 1 80 ? 18.638 49.593 12.842 1.00 39.62 ? 80 ASP A HB3 1 ATOM 1280 N N . TYR A 1 81 ? 17.727 47.012 13.758 1.00 37.61 ? 81 TYR A N 1 ATOM 1281 C CA . TYR A 1 81 ? 17.188 46.294 14.915 1.00 37.49 ? 81 TYR A CA 1 ATOM 1282 C C . TYR A 1 81 ? 17.412 44.778 14.786 1.00 40.75 ? 81 TYR A C 1 ATOM 1283 O O . TYR A 1 81 ? 17.840 44.141 15.744 1.00 40.73 ? 81 TYR A O 1 ATOM 1284 C CB . TYR A 1 81 ? 15.661 46.598 15.047 1.00 38.21 ? 81 TYR A CB 1 ATOM 1285 C CG . TYR A 1 81 ? 15.062 46.043 16.325 1.00 39.72 ? 81 TYR A CG 1 ATOM 1286 C CD1 . TYR A 1 81 ? 14.685 44.713 16.418 1.00 40.91 ? 81 TYR A CD1 1 ATOM 1287 C CD2 . TYR A 1 81 ? 14.964 46.829 17.470 1.00 42.37 ? 81 TYR A CD2 1 ATOM 1288 C CE1 . TYR A 1 81 ? 14.277 44.163 17.628 1.00 42.14 ? 81 TYR A CE1 1 ATOM 1289 C CE2 . TYR A 1 81 ? 14.465 46.318 18.656 1.00 43.67 ? 81 TYR A CE2 1 ATOM 1290 C CZ . TYR A 1 81 ? 14.097 44.986 18.732 1.00 50.31 ? 81 TYR A CZ 1 ATOM 1291 O OH . TYR A 1 81 ? 13.669 44.492 19.942 1.00 47.34 ? 81 TYR A OH 1 ATOM 1292 H H . TYR A 1 81 ? 17.039 47.578 13.269 1.00 36.27 ? 81 TYR A H 1 ATOM 1293 H HA . TYR A 1 81 ? 17.696 46.630 15.818 1.00 36.72 ? 81 TYR A HA 1 ATOM 1294 H HB2 . TYR A 1 81 ? 15.516 47.677 15.042 1.00 37.02 ? 81 TYR A HB2 1 ATOM 1295 H HB3 . TYR A 1 81 ? 15.138 46.155 14.200 1.00 37.46 ? 81 TYR A HB3 1 ATOM 1296 H HD1 . TYR A 1 81 ? 14.807 44.061 15.555 1.00 41.51 ? 81 TYR A HD1 1 ATOM 1297 H HD2 . TYR A 1 81 ? 15.208 47.888 17.429 1.00 42.97 ? 81 TYR A HD2 1 ATOM 1298 H HE1 . TYR A 1 81 ? 14.003 43.111 17.663 1.00 41.87 ? 81 TYR A HE1 1 ATOM 1299 H HE2 . TYR A 1 81 ? 14.379 46.970 19.524 1.00 44.08 ? 81 TYR A HE2 1 ATOM 1300 H HH . TYR A 1 81 ? 13.659 43.500 19.952 1.00 48.08 ? 81 TYR A HH 1 ATOM 1301 N N . VAL A 1 82 ? 17.057 44.203 13.616 1.00 37.38 ? 82 VAL A N 1 ATOM 1302 C CA . VAL A 1 82 ? 17.180 42.764 13.343 1.00 36.71 ? 82 VAL A CA 1 ATOM 1303 C C . VAL A 1 82 ? 18.656 42.336 13.302 1.00 38.93 ? 82 VAL A C 1 ATOM 1304 O O . VAL A 1 82 ? 18.998 41.270 13.798 1.00 36.24 ? 82 VAL A O 1 ATOM 1305 C CB . VAL A 1 82 ? 16.413 42.386 12.051 1.00 39.79 ? 82 VAL A CB 1 ATOM 1306 C CG1 . VAL A 1 82 ? 16.745 40.967 11.591 1.00 38.70 ? 82 VAL A CG1 1 ATOM 1307 C CG2 . VAL A 1 82 ? 14.906 42.568 12.246 1.00 39.40 ? 82 VAL A CG2 1 ATOM 1308 H H . VAL A 1 82 ? 16.685 44.736 12.835 1.00 36.82 ? 82 VAL A H 1 ATOM 1309 H HA . VAL A 1 82 ? 16.710 42.227 14.165 1.00 37.12 ? 82 VAL A HA 1 ATOM 1310 H HB . VAL A 1 82 ? 16.714 43.058 11.250 1.00 40.83 ? 82 VAL A HB 1 ATOM 1311 H HG11 . VAL A 1 82 ? 16.772 40.295 12.447 1.00 38.14 ? 82 VAL A HG11 1 ATOM 1312 H HG12 . VAL A 1 82 ? 15.987 40.645 10.877 1.00 37.05 ? 82 VAL A HG12 1 ATOM 1313 H HG13 . VAL A 1 82 ? 17.715 40.987 11.098 1.00 38.27 ? 82 VAL A HG13 1 ATOM 1314 H HG21 . VAL A 1 82 ? 14.699 43.542 12.684 1.00 39.17 ? 82 VAL A HG21 1 ATOM 1315 H HG22 . VAL A 1 82 ? 14.423 42.494 11.273 1.00 39.74 ? 82 VAL A HG22 1 ATOM 1316 H HG23 . VAL A 1 82 ? 14.534 41.785 12.905 1.00 38.98 ? 82 VAL A HG23 1 ATOM 1317 N N . ARG A 1 83 ? 19.527 43.167 12.714 1.00 37.90 ? 83 ARG A N 1 ATOM 1318 C CA . ARG A 1 83 ? 20.970 42.892 12.696 1.00 38.90 ? 83 ARG A CA 1 ATOM 1319 C C . ARG A 1 83 ? 21.579 42.987 14.106 1.00 46.30 ? 83 ARG A C 1 ATOM 1320 O O . ARG A 1 83 ? 22.374 42.137 14.500 1.00 46.43 ? 83 ARG A O 1 ATOM 1321 C CB . ARG A 1 83 ? 21.680 43.860 11.754 1.00 38.85 ? 83 ARG A CB 1 ATOM 1322 C CG . ARG A 1 83 ? 21.373 43.584 10.308 1.00 43.26 ? 83 ARG A CG 1 ATOM 1323 C CD . ARG A 1 83 ? 22.228 44.409 9.362 1.00 45.65 ? 83 ARG A CD 1 ATOM 1324 N NE . ARG A 1 83 ? 21.735 45.782 9.220 1.00 51.69 ? 83 ARG A NE 1 ATOM 1325 C CZ . ARG A 1 83 ? 22.314 46.881 9.703 1.00 63.47 ? 83 ARG A CZ 1 ATOM 1326 N NH1 . ARG A 1 83 ? 23.443 46.800 10.403 1.00 52.02 ? 83 ARG A NH1 1 ATOM 1327 N NH2 . ARG A 1 83 ? 21.764 48.073 9.495 1.00 43.52 ? 83 ARG A NH2 1 ATOM 1328 H H . ARG A 1 83 ? 19.256 44.010 12.216 1.00 37.21 ? 83 ARG A H 1 ATOM 1329 H HA . ARG A 1 83 ? 21.143 41.880 12.331 1.00 39.78 ? 83 ARG A HA 1 ATOM 1330 H HB2 . ARG A 1 83 ? 21.369 44.881 11.970 1.00 39.30 ? 83 ARG A HB2 1 ATOM 1331 H HB3 . ARG A 1 83 ? 22.755 43.754 11.899 1.00 39.49 ? 83 ARG A HB3 1 ATOM 1332 H HG2 . ARG A 1 83 ? 21.559 42.531 10.103 1.00 43.87 ? 83 ARG A HG2 1 ATOM 1333 H HG3 . ARG A 1 83 ? 20.329 43.815 10.109 1.00 43.55 ? 83 ARG A HG3 1 ATOM 1334 H HD2 . ARG A 1 83 ? 23.269 44.366 9.669 1.00 44.79 ? 83 ARG A HD2 1 ATOM 1335 H HD3 . ARG A 1 83 ? 22.147 43.961 8.374 1.00 46.60 ? 83 ARG A HD3 1 ATOM 1336 H HE . ARG A 1 83 ? 20.882 45.897 8.683 1.00 51.62 ? 83 ARG A HE 1 ATOM 1337 H HH11 . ARG A 1 83 ? 23.901 45.922 10.620 1.00 51.72 ? 83 ARG A HH11 1 ATOM 1338 H HH12 . ARG A 1 83 ? 23.849 47.650 10.780 1.00 52.07 ? 83 ARG A HH12 1 ATOM 1339 H HH21 . ARG A 1 83 ? 20.908 48.160 8.956 1.00 43.35 ? 83 ARG A HH21 1 ATOM 1340 H HH22 . ARG A 1 83 ? 22.201 48.908 9.870 1.00 43.86 ? 83 ARG A HH22 1 ATOM 1341 N N . ASP A 1 84 ? 21.174 44.005 14.868 1.00 44.61 ? 84 ASP A N 1 ATOM 1342 C CA . ASP A 1 84 ? 21.669 44.234 16.227 1.00 44.96 ? 84 ASP A CA 1 ATOM 1343 C C . ASP A 1 84 ? 21.208 43.129 17.225 1.00 47.56 ? 84 ASP A C 1 ATOM 1344 O O . ASP A 1 84 ? 22.022 42.609 17.988 1.00 49.14 ? 84 ASP A O 1 ATOM 1345 C CB . ASP A 1 84 ? 21.177 45.640 16.712 1.00 46.77 ? 84 ASP A CB 1 ATOM 1346 C CG . ASP A 1 84 ? 21.737 46.183 18.015 1.00 58.52 ? 84 ASP A CG 1 ATOM 1347 O OD1 . ASP A 1 84 ? 22.693 45.580 18.549 1.00 60.58 ? 84 ASP A OD1 1 ATOM 1348 O OD2 . ASP A 1 84 ? 21.246 47.253 18.474 1.00 57.86 ? 84 ASP A OD2 1 ATOM 1349 H H . ASP A 1 84 ? 20.504 44.702 14.559 1.00 43.70 ? 84 ASP A H 1 ATOM 1350 H HA . ASP A 1 84 ? 22.758 44.246 16.203 1.00 44.07 ? 84 ASP A HA 1 ATOM 1351 H HB2 . ASP A 1 84 ? 21.467 46.370 15.959 1.00 47.63 ? 84 ASP A HB2 1 ATOM 1352 H HB3 . ASP A 1 84 ? 20.092 45.621 16.800 1.00 45.66 ? 84 ASP A HB3 1 ATOM 1353 N N . ASN A 1 85 ? 19.927 42.793 17.228 1.00 41.57 ? 85 ASN A N 1 ATOM 1354 C CA . ASN A 1 85 ? 19.356 41.880 18.235 1.00 41.56 ? 85 ASN A CA 1 ATOM 1355 C C . ASN A 1 85 ? 19.103 40.404 17.845 1.00 46.26 ? 85 ASN A C 1 ATOM 1356 O O . ASN A 1 85 ? 19.039 39.571 18.744 1.00 46.60 ? 85 ASN A O 1 ATOM 1357 C CB . ASN A 1 85 ? 18.025 42.488 18.720 1.00 44.76 ? 85 ASN A CB 1 ATOM 1358 C CG . ASN A 1 85 ? 18.226 43.713 19.628 1.00 57.60 ? 85 ASN A CG 1 ATOM 1359 O OD1 . ASN A 1 85 ? 19.101 43.739 20.497 1.00 53.48 ? 85 ASN A OD1 1 ATOM 1360 N ND2 . ASN A 1 85 ? 17.509 44.789 19.389 1.00 50.76 ? 85 ASN A ND2 1 ATOM 1361 H H . ASN A 1 85 ? 19.260 43.135 16.543 1.00 40.69 ? 85 ASN A H 1 ATOM 1362 H HA . ASN A 1 85 ? 20.022 41.836 19.095 1.00 40.74 ? 85 ASN A HA 1 ATOM 1363 H HB2 . ASN A 1 85 ? 17.437 42.787 17.853 1.00 44.80 ? 85 ASN A HB2 1 ATOM 1364 H HB3 . ASN A 1 85 ? 17.456 41.728 19.251 1.00 44.02 ? 85 ASN A HB3 1 ATOM 1365 H HD21 . ASN A 1 85 ? 16.877 44.819 18.596 1.00 51.40 ? 85 ASN A HD21 1 ATOM 1366 H HD22 . ASN A 1 85 ? 17.621 45.613 19.971 1.00 50.81 ? 85 ASN A HD22 1 ATOM 1367 N N . LEU A 1 86 ? 18.878 40.082 16.564 1.00 41.93 ? 86 LEU A N 1 ATOM 1368 C CA . LEU A 1 86 ? 18.564 38.713 16.161 1.00 41.17 ? 86 LEU A CA 1 ATOM 1369 C C . LEU A 1 86 ? 19.674 38.069 15.352 1.00 46.41 ? 86 LEU A C 1 ATOM 1370 O O . LEU A 1 86 ? 19.527 36.936 14.910 1.00 47.83 ? 86 LEU A O 1 ATOM 1371 C CB . LEU A 1 86 ? 17.202 38.714 15.440 1.00 41.12 ? 86 LEU A CB 1 ATOM 1372 C CG . LEU A 1 86 ? 16.031 39.095 16.360 1.00 44.93 ? 86 LEU A CG 1 ATOM 1373 C CD1 . LEU A 1 86 ? 14.842 39.402 15.605 1.00 45.94 ? 86 LEU A CD1 1 ATOM 1374 C CD2 . LEU A 1 86 ? 15.715 37.995 17.363 1.00 46.50 ? 86 LEU A CD2 1 ATOM 1375 H H . LEU A 1 86 ? 18.880 40.744 15.794 1.00 41.99 ? 86 LEU A H 1 ATOM 1376 H HA . LEU A 1 86 ? 18.462 38.069 17.031 1.00 41.76 ? 86 LEU A HA 1 ATOM 1377 H HB2 . LEU A 1 86 ? 17.236 39.434 14.623 1.00 40.94 ? 86 LEU A HB2 1 ATOM 1378 H HB3 . LEU A 1 86 ? 17.001 37.722 15.040 1.00 42.32 ? 86 LEU A HB3 1 ATOM 1379 H HG . LEU A 1 86 ? 16.284 39.991 16.925 1.00 44.89 ? 86 LEU A HG 1 ATOM 1380 H HD11 . LEU A 1 86 ? 15.102 40.006 14.738 1.00 46.40 ? 86 LEU A HD11 1 ATOM 1381 H HD12 . LEU A 1 86 ? 14.375 38.465 15.307 1.00 45.76 ? 86 LEU A HD12 1 ATOM 1382 H HD13 . LEU A 1 86 ? 14.164 39.957 16.252 1.00 46.67 ? 86 LEU A HD13 1 ATOM 1383 H HD21 . LEU A 1 86 ? 15.578 37.055 16.831 1.00 46.50 ? 86 LEU A HD21 1 ATOM 1384 H HD22 . LEU A 1 86 ? 16.528 37.906 18.082 1.00 45.86 ? 86 LEU A HD22 1 ATOM 1385 H HD23 . LEU A 1 86 ? 14.799 38.253 17.892 1.00 46.67 ? 86 LEU A HD23 1 ATOM 1386 N N . GLY A 1 87 ? 20.818 38.753 15.234 1.00 43.46 ? 87 GLY A N 1 ATOM 1387 C CA . GLY A 1 87 ? 22.019 38.239 14.600 1.00 42.30 ? 87 GLY A CA 1 ATOM 1388 C C . GLY A 1 87 ? 21.921 38.012 13.101 1.00 43.05 ? 87 GLY A C 1 ATOM 1389 O O . GLY A 1 87 ? 22.664 37.184 12.605 1.00 43.08 ? 87 GLY A O 1 ATOM 1390 H H . GLY A 1 87 ? 20.957 39.706 15.552 1.00 44.66 ? 87 GLY A H 1 ATOM 1391 H HA2 . GLY A 1 87 ? 22.838 38.936 14.773 1.00 42.73 ? 87 GLY A HA2 1 ATOM 1392 H HA3 . GLY A 1 87 ? 22.267 37.290 15.073 1.00 41.58 ? 87 GLY A HA3 1 ATOM 1393 N N . ALA A 1 88 ? 21.017 38.701 12.382 1.00 38.15 ? 88 ALA A N 1 ATOM 1394 C CA . ALA A 1 88 ? 20.911 38.488 10.932 1.00 38.09 ? 88 ALA A CA 1 ATOM 1395 C C . ALA A 1 88 ? 22.222 38.864 10.203 1.00 42.41 ? 88 ALA A C 1 ATOM 1396 O O . ALA A 1 88 ? 22.819 39.906 10.488 1.00 41.25 ? 88 ALA A O 1 ATOM 1397 C CB . ALA A 1 88 ? 19.755 39.274 10.351 1.00 38.71 ? 88 ALA A CB 1 ATOM 1398 H H . ALA A 1 88 ? 20.382 39.397 12.759 1.00 37.25 ? 88 ALA A H 1 ATOM 1399 H HA . ALA A 1 88 ? 20.704 37.433 10.763 1.00 37.81 ? 88 ALA A HA 1 ATOM 1400 H HB1 . ALA A 1 88 ? 18.845 38.999 10.881 1.00 38.57 ? 88 ALA A HB1 1 ATOM 1401 H HB2 . ALA A 1 88 ? 19.962 40.337 10.464 1.00 38.00 ? 88 ALA A HB2 1 ATOM 1402 H HB3 . ALA A 1 88 ? 19.652 39.026 9.296 1.00 38.15 ? 88 ALA A HB3 1 ATOM 1403 N N . LYS A 1 89 ? 22.659 37.987 9.277 1.00 39.27 ? 89 LYS A N 1 ATOM 1404 C CA . LYS A 1 89 ? 23.872 38.148 8.471 1.00 38.08 ? 89 LYS A CA 1 ATOM 1405 C C . LYS A 1 89 ? 23.505 38.726 7.101 1.00 40.21 ? 89 LYS A C 1 ATOM 1406 O O . LYS A 1 89 ? 22.333 38.653 6.707 1.00 37.05 ? 89 LYS A O 1 ATOM 1407 C CB . LYS A 1 89 ? 24.547 36.787 8.273 1.00 39.37 ? 89 LYS A CB 1 ATOM 1408 C CG . LYS A 1 89 ? 24.850 36.034 9.552 1.00 41.84 ? 89 LYS A CG 1 ATOM 1409 C CD . LYS A 1 89 ? 25.811 36.771 10.459 1.00 47.30 ? 89 LYS A CD 1 ATOM 1410 C CE . LYS A 1 89 ? 26.291 35.928 11.615 1.00 60.78 ? 89 LYS A CE 1 ATOM 1411 N NZ . LYS A 1 89 ? 25.861 36.490 12.930 1.00 82.99 ? 89 LYS A NZ 1 ATOM 1412 H H . LYS A 1 89 ? 22.170 37.127 9.057 1.00 39.75 ? 89 LYS A H 1 ATOM 1413 H HA . LYS A 1 89 ? 24.572 38.814 8.973 1.00 38.31 ? 89 LYS A HA 1 ATOM 1414 H HB2 . LYS A 1 89 ? 23.891 36.160 7.672 1.00 39.25 ? 89 LYS A HB2 1 ATOM 1415 H HB3 . LYS A 1 89 ? 25.492 36.933 7.752 1.00 39.81 ? 89 LYS A HB3 1 ATOM 1416 H HG2 . LYS A 1 89 ? 23.929 35.863 10.107 1.00 42.73 ? 89 LYS A HG2 1 ATOM 1417 H HG3 . LYS A 1 89 ? 25.298 35.081 9.278 1.00 41.28 ? 89 LYS A HG3 1 ATOM 1418 H HD2 . LYS A 1 89 ? 26.676 37.085 9.879 1.00 47.15 ? 89 LYS A HD2 1 ATOM 1419 H HD3 . LYS A 1 89 ? 25.305 37.643 10.871 1.00 47.50 ? 89 LYS A HD3 1 ATOM 1420 H HE2 . LYS A 1 89 ? 25.892 34.918 11.532 1.00 60.61 ? 89 LYS A HE2 1 ATOM 1421 H HE3 . LYS A 1 89 ? 27.379 35.896 11.602 1.00 60.69 ? 89 LYS A HE3 1 ATOM 1422 H HZ1 . LYS A 1 89 ? 24.848 36.539 12.974 1.00 83.03 ? 89 LYS A HZ1 1 ATOM 1423 H HZ2 . LYS A 1 89 ? 26.194 35.897 13.684 1.00 83.36 ? 89 LYS A HZ2 1 ATOM 1424 H HZ3 . LYS A 1 89 ? 26.243 37.422 13.053 1.00 83.11 ? 89 LYS A HZ3 1 ATOM 1425 N N . PRO A 1 90 ? 24.502 39.262 6.353 1.00 37.38 ? 90 PRO A N 1 ATOM 1426 C CA . PRO A 1 90 ? 24.196 39.785 5.020 1.00 37.18 ? 90 PRO A CA 1 ATOM 1427 C C . PRO A 1 90 ? 24.011 38.714 3.939 1.00 38.07 ? 90 PRO A C 1 ATOM 1428 O O . PRO A 1 90 ? 23.451 39.020 2.897 1.00 34.68 ? 90 PRO A O 1 ATOM 1429 C CB . PRO A 1 90 ? 25.352 40.746 4.707 1.00 38.59 ? 90 PRO A CB 1 ATOM 1430 C CG . PRO A 1 90 ? 26.393 40.467 5.673 1.00 42.59 ? 90 PRO A CG 1 ATOM 1431 C CD . PRO A 1 90 ? 25.874 39.619 6.779 1.00 38.98 ? 90 PRO A CD 1 ATOM 1432 H HA . PRO A 1 90 ? 23.284 40.376 5.075 1.00 37.57 ? 90 PRO A HA 1 ATOM 1433 H HB2 . PRO A 1 90 ? 25.714 40.569 3.696 1.00 38.45 ? 90 PRO A HB2 1 ATOM 1434 H HB3 . PRO A 1 90 ? 24.998 41.771 4.804 1.00 38.49 ? 90 PRO A HB3 1 ATOM 1435 H HG2 . PRO A 1 90 ? 27.204 39.948 5.164 1.00 41.79 ? 90 PRO A HG2 1 ATOM 1436 H HG3 . PRO A 1 90 ? 26.750 41.412 6.078 1.00 42.04 ? 90 PRO A HG3 1 ATOM 1437 H HD2 . PRO A 1 90 ? 26.500 38.734 6.880 1.00 38.98 ? 90 PRO A HD2 1 ATOM 1438 H HD3 . PRO A 1 90 ? 25.853 40.198 7.701 1.00 39.04 ? 90 PRO A HD3 1 ATOM 1439 N N . ASP A 1 91 ? 24.422 37.468 4.192 1.00 37.59 ? 91 ASP A N 1 ATOM 1440 C CA . ASP A 1 91 ? 24.269 36.377 3.227 1.00 39.21 ? 91 ASP A CA 1 ATOM 1441 C C . ASP A 1 91 ? 24.098 35.052 3.924 1.00 39.26 ? 91 ASP A C 1 ATOM 1442 O O . ASP A 1 91 ? 24.658 34.841 4.980 1.00 37.44 ? 91 ASP A O 1 ATOM 1443 C CB . ASP A 1 91 ? 25.511 36.221 2.319 1.00 43.19 ? 91 ASP A CB 1 ATOM 1444 C CG . ASP A 1 91 ? 25.942 37.464 1.569 1.00 57.43 ? 91 ASP A CG 1 ATOM 1445 O OD1 . ASP A 1 91 ? 25.373 37.730 0.485 1.00 60.22 ? 91 ASP A OD1 1 ATOM 1446 O OD2 . ASP A 1 91 ? 26.886 38.134 2.033 1.00 59.91 ? 91 ASP A OD2 1 ATOM 1447 H H . ASP A 1 91 ? 24.876 37.170 5.049 1.00 37.88 ? 91 ASP A H 1 ATOM 1448 H HA . ASP A 1 91 ? 23.397 36.562 2.603 1.00 39.32 ? 91 ASP A HA 1 ATOM 1449 H HB2 . ASP A 1 91 ? 26.350 35.902 2.937 1.00 42.91 ? 91 ASP A HB2 1 ATOM 1450 H HB3 . ASP A 1 91 ? 25.290 35.453 1.579 1.00 42.86 ? 91 ASP A HB3 1 ATOM 1451 N N . TYR A 1 92 ? 23.362 34.149 3.291 1.00 34.60 ? 92 TYR A N 1 ATOM 1452 C CA . TYR A 1 92 ? 23.163 32.792 3.760 1.00 31.93 ? 92 TYR A CA 1 ATOM 1453 C C . TYR A 1 92 ? 23.366 31.839 2.619 1.00 34.15 ? 92 TYR A C 1 ATOM 1454 O O . TYR A 1 92 ? 23.064 32.162 1.483 1.00 31.96 ? 92 TYR A O 1 ATOM 1455 C CB . TYR A 1 92 ? 21.746 32.606 4.308 1.00 30.84 ? 92 TYR A CB 1 ATOM 1456 C CG . TYR A 1 92 ? 21.555 33.278 5.637 1.00 31.06 ? 92 TYR A CG 1 ATOM 1457 C CD1 . TYR A 1 92 ? 21.990 32.677 6.808 1.00 31.82 ? 92 TYR A CD1 1 ATOM 1458 C CD2 . TYR A 1 92 ? 21.026 34.561 5.720 1.00 32.37 ? 92 TYR A CD2 1 ATOM 1459 C CE1 . TYR A 1 92 ? 21.881 33.320 8.032 1.00 33.06 ? 92 TYR A CE1 1 ATOM 1460 C CE2 . TYR A 1 92 ? 20.942 35.231 6.942 1.00 32.90 ? 92 TYR A CE2 1 ATOM 1461 C CZ . TYR A 1 92 ? 21.358 34.600 8.093 1.00 36.32 ? 92 TYR A CZ 1 ATOM 1462 O OH . TYR A 1 92 ? 21.273 35.256 9.279 1.00 36.65 ? 92 TYR A OH 1 ATOM 1463 H H . TYR A 1 92 ? 22.845 34.351 2.441 1.00 35.28 ? 92 TYR A H 1 ATOM 1464 H HA . TYR A 1 92 ? 23.872 32.550 4.549 1.00 32.56 ? 92 TYR A HA 1 ATOM 1465 H HB2 . TYR A 1 92 ? 21.032 33.021 3.599 1.00 30.20 ? 92 TYR A HB2 1 ATOM 1466 H HB3 . TYR A 1 92 ? 21.561 31.543 4.454 1.00 31.45 ? 92 TYR A HB3 1 ATOM 1467 H HD1 . TYR A 1 92 ? 22.413 31.674 6.769 1.00 32.22 ? 92 TYR A HD1 1 ATOM 1468 H HD2 . TYR A 1 92 ? 20.711 35.066 4.808 1.00 32.44 ? 92 TYR A HD2 1 ATOM 1469 H HE1 . TYR A 1 92 ? 22.232 32.830 8.938 1.00 34.05 ? 92 TYR A HE1 1 ATOM 1470 H HE2 . TYR A 1 92 ? 20.514 36.231 6.996 1.00 32.37 ? 92 TYR A HE2 1 ATOM 1471 H HH . TYR A 1 92 ? 20.438 35.792 9.278 1.00 37.69 ? 92 TYR A HH 1 ATOM 1472 N N . PHE A 1 93 ? 23.852 30.649 2.939 1.00 32.77 ? 93 PHE A N 1 ATOM 1473 C CA A PHE A 1 93 ? 24.035 29.595 1.964 0.50 32.06 ? 93 PHE A CA 1 ATOM 1474 C CA B PHE A 1 93 ? 24.038 29.563 1.978 0.50 32.78 ? 93 PHE A CA 1 ATOM 1475 C C . PHE A 1 93 ? 22.712 28.830 1.872 1.00 34.65 ? 93 PHE A C 1 ATOM 1476 O O . PHE A 1 93 ? 22.150 28.462 2.905 1.00 34.67 ? 93 PHE A O 1 ATOM 1477 C CB A PHE A 1 93 ? 25.167 28.695 2.443 0.50 33.48 ? 93 PHE A CB 1 ATOM 1478 C CB B PHE A 1 93 ? 25.080 28.560 2.491 0.50 34.90 ? 93 PHE A CB 1 ATOM 1479 C CG A PHE A 1 93 ? 25.440 27.480 1.605 0.50 34.47 ? 93 PHE A CG 1 ATOM 1480 C CG B PHE A 1 93 ? 26.501 28.763 2.027 0.50 36.94 ? 93 PHE A CG 1 ATOM 1481 C CD1 A PHE A 1 93 ? 25.279 27.512 0.238 0.50 37.19 ? 93 PHE A CD1 1 ATOM 1482 C CD1 B PHE A 1 93 ? 26.788 28.968 0.687 0.50 40.21 ? 93 PHE A CD1 1 ATOM 1483 C CD2 A PHE A 1 93 ? 25.925 26.326 2.177 0.50 36.65 ? 93 PHE A CD2 1 ATOM 1484 C CD2 B PHE A 1 93 ? 27.556 28.675 2.919 0.50 38.27 ? 93 PHE A CD2 1 ATOM 1485 C CE1 A PHE A 1 93 ? 25.554 26.394 -0.536 0.50 38.31 ? 93 PHE A CE1 1 ATOM 1486 C CE1 B PHE A 1 93 ? 28.096 29.123 0.260 0.50 40.74 ? 93 PHE A CE1 1 ATOM 1487 C CE2 A PHE A 1 93 ? 26.188 25.208 1.402 0.50 39.93 ? 93 PHE A CE2 1 ATOM 1488 C CE2 B PHE A 1 93 ? 28.864 28.830 2.486 0.50 40.93 ? 93 PHE A CE2 1 ATOM 1489 C CZ A PHE A 1 93 ? 26.001 25.250 0.052 0.50 37.46 ? 93 PHE A CZ 1 ATOM 1490 C CZ B PHE A 1 93 ? 29.124 29.053 1.163 0.50 39.18 ? 93 PHE A CZ 1 ATOM 1491 H H A PHE A 1 93 ? 24.128 30.377 3.878 0.50 32.95 ? 93 PHE A H 1 ATOM 1492 H H B PHE A 1 93 ? 24.133 30.389 3.880 0.50 32.95 ? 93 PHE A H 1 ATOM 1493 H HA A PHE A 1 93 ? 24.307 30.003 0.992 0.50 32.16 ? 93 PHE A HA 1 ATOM 1494 H HA B PHE A 1 93 ? 24.349 29.942 1.007 0.50 32.89 ? 93 PHE A HA 1 ATOM 1495 H HB2 A PHE A 1 93 ? 26.081 29.285 2.480 0.50 33.41 ? 93 PHE A HB2 1 ATOM 1496 H HB2 B PHE A 1 93 ? 25.096 28.615 3.577 0.50 35.19 ? 93 PHE A HB2 1 ATOM 1497 H HB3 A PHE A 1 93 ? 24.922 28.356 3.447 0.50 33.69 ? 93 PHE A HB3 1 ATOM 1498 H HB3 B PHE A 1 93 ? 24.778 27.561 2.180 0.50 34.58 ? 93 PHE A HB3 1 ATOM 1499 H HD1 A PHE A 1 93 ? 24.942 28.431 -0.235 0.50 37.13 ? 93 PHE A HD1 1 ATOM 1500 H HD1 B PHE A 1 93 ? 25.977 29.021 -0.038 0.50 40.00 ? 93 PHE A HD1 1 ATOM 1501 H HD2 A PHE A 1 93 ? 26.049 26.285 3.257 0.50 36.30 ? 93 PHE A HD2 1 ATOM 1502 H HD2 B PHE A 1 93 ? 27.358 28.503 3.976 0.50 37.68 ? 93 PHE A HD2 1 ATOM 1503 H HE1 A PHE A 1 93 ? 25.425 26.433 -1.617 0.50 38.89 ? 93 PHE A HE1 1 ATOM 1504 H HE1 B PHE A 1 93 ? 28.306 29.296 -0.794 0.50 40.49 ? 93 PHE A HE1 1 ATOM 1505 H HE2 A PHE A 1 93 ? 26.557 24.300 1.875 0.50 40.48 ? 93 PHE A HE2 1 ATOM 1506 H HE2 B PHE A 1 93 ? 29.684 28.784 3.201 0.50 40.70 ? 93 PHE A HE2 1 ATOM 1507 H HZ A PHE A 1 93 ? 26.238 24.376 -0.553 0.50 37.59 ? 93 PHE A HZ 1 ATOM 1508 H HZ B PHE A 1 93 ? 30.152 29.177 0.826 0.50 39.49 ? 93 PHE A HZ 1 ATOM 1509 N N . ILE A 1 94 ? 22.204 28.629 0.661 1.00 29.65 ? 94 ILE A N 1 ATOM 1510 C CA . ILE A 1 94 ? 20.966 27.883 0.417 1.00 29.73 ? 94 ILE A CA 1 ATOM 1511 C C . ILE A 1 94 ? 21.369 26.420 0.236 1.00 34.02 ? 94 ILE A C 1 ATOM 1512 O O . ILE A 1 94 ? 21.991 26.064 -0.772 1.00 32.47 ? 94 ILE A O 1 ATOM 1513 C CB . ILE A 1 94 ? 20.198 28.407 -0.831 1.00 32.33 ? 94 ILE A CB 1 ATOM 1514 C CG1 . ILE A 1 94 ? 19.809 29.884 -0.621 1.00 32.89 ? 94 ILE A CG1 1 ATOM 1515 C CG2 . ILE A 1 94 ? 18.947 27.530 -1.079 1.00 31.16 ? 94 ILE A CG2 1 ATOM 1516 C CD1 . ILE A 1 94 ? 19.537 30.649 -1.912 1.00 36.36 ? 94 ILE A CD1 1 ATOM 1517 H H . ILE A 1 94 ? 22.614 28.991 -0.193 1.00 30.76 ? 94 ILE A H 1 ATOM 1518 H HA . ILE A 1 94 ? 20.297 27.964 1.272 1.00 29.83 ? 94 ILE A HA 1 ATOM 1519 H HB . ILE A 1 94 ? 20.845 28.342 -1.704 1.00 31.43 ? 94 ILE A HB 1 ATOM 1520 H HG12 . ILE A 1 94 ? 18.904 29.918 -0.017 1.00 33.20 ? 94 ILE A HG12 1 ATOM 1521 H HG13 . ILE A 1 94 ? 20.607 30.409 -0.098 1.00 32.46 ? 94 ILE A HG13 1 ATOM 1522 H HG21 . ILE A 1 94 ? 18.368 27.464 -0.159 1.00 30.05 ? 94 ILE A HG21 1 ATOM 1523 H HG22 . ILE A 1 94 ? 18.342 27.974 -1.867 1.00 32.07 ? 94 ILE A HG22 1 ATOM 1524 H HG23 . ILE A 1 94 ? 19.244 26.533 -1.396 1.00 31.49 ? 94 ILE A HG23 1 ATOM 1525 H HD11 . ILE A 1 94 ? 18.722 30.168 -2.449 1.00 36.97 ? 94 ILE A HD11 1 ATOM 1526 H HD12 . ILE A 1 94 ? 19.262 31.675 -1.676 1.00 35.95 ? 94 ILE A HD12 1 ATOM 1527 H HD13 . ILE A 1 94 ? 20.438 30.637 -2.524 1.00 36.47 ? 94 ILE A HD13 1 ATOM 1528 N N . ARG A 1 95 ? 21.012 25.570 1.201 1.00 31.72 ? 95 ARG A N 1 ATOM 1529 C CA . ARG A 1 95 ? 21.373 24.163 1.129 1.00 31.77 ? 95 ARG A CA 1 ATOM 1530 C C . ARG A 1 95 ? 20.451 23.505 0.155 1.00 36.14 ? 95 ARG A C 1 ATOM 1531 O O . ARG A 1 95 ? 20.902 22.909 -0.818 1.00 35.23 ? 95 ARG A O 1 ATOM 1532 C CB . ARG A 1 95 ? 21.309 23.470 2.510 1.00 30.23 ? 95 ARG A CB 1 ATOM 1533 C CG . ARG A 1 95 ? 22.116 24.128 3.578 1.00 32.68 ? 95 ARG A CG 1 ATOM 1534 C CD . ARG A 1 95 ? 23.522 24.407 3.151 1.00 41.97 ? 95 ARG A CD 1 ATOM 1535 N NE . ARG A 1 95 ? 24.333 23.199 2.983 1.00 47.68 ? 95 ARG A NE 1 ATOM 1536 C CZ . ARG A 1 95 ? 25.196 22.705 3.867 1.00 44.16 ? 95 ARG A CZ 1 ATOM 1537 N NH1 . ARG A 1 95 ? 25.339 23.269 5.054 1.00 33.50 ? 95 ARG A NH1 1 ATOM 1538 N NH2 . ARG A 1 95 ? 25.902 21.615 3.579 1.00 33.42 ? 95 ARG A NH2 1 ATOM 1539 H H . ARG A 1 95 ? 20.439 25.817 2.002 1.00 32.04 ? 95 ARG A H 1 ATOM 1540 H HA . ARG A 1 95 ? 22.373 24.048 0.714 1.00 32.76 ? 95 ARG A HA 1 ATOM 1541 H HB2 . ARG A 1 95 ? 20.277 23.449 2.858 1.00 30.66 ? 95 ARG A HB2 1 ATOM 1542 H HB3 . ARG A 1 95 ? 21.680 22.451 2.420 1.00 29.87 ? 95 ARG A HB3 1 ATOM 1543 H HG2 . ARG A 1 95 ? 21.657 25.078 3.845 1.00 33.49 ? 95 ARG A HG2 1 ATOM 1544 H HG3 . ARG A 1 95 ? 22.145 23.471 4.446 1.00 32.95 ? 95 ARG A HG3 1 ATOM 1545 H HD2 . ARG A 1 95 ? 23.503 24.925 2.196 1.00 41.35 ? 95 ARG A HD2 1 ATOM 1546 H HD3 . ARG A 1 95 ? 24.006 25.089 3.842 1.00 42.54 ? 95 ARG A HD3 1 ATOM 1547 H HE . ARG A 1 95 ? 24.269 22.737 2.080 1.00 48.04 ? 95 ARG A HE 1 ATOM 1548 H HH11 . ARG A 1 95 ? 24.809 24.083 5.341 1.00 34.21 ? 95 ARG A HH11 1 ATOM 1549 H HH12 . ARG A 1 95 ? 25.989 22.860 5.718 1.00 32.61 ? 95 ARG A HH12 1 ATOM 1550 H HH21 . ARG A 1 95 ? 25.807 21.165 2.675 1.00 34.03 ? 95 ARG A HH21 1 ATOM 1551 H HH22 . ARG A 1 95 ? 26.549 21.227 4.259 1.00 32.98 ? 95 ARG A HH22 1 ATOM 1552 N N . THR A 1 96 ? 19.173 23.637 0.401 1.00 33.76 ? 96 THR A N 1 ATOM 1553 C CA . THR A 1 96 ? 18.159 23.131 -0.501 1.00 34.24 ? 96 THR A CA 1 ATOM 1554 C C . THR A 1 96 ? 16.821 23.816 -0.249 1.00 33.94 ? 96 THR A C 1 ATOM 1555 O O . THR A 1 96 ? 16.629 24.540 0.730 1.00 31.02 ? 96 THR A O 1 ATOM 1556 C CB . THR A 1 96 ? 18.082 21.581 -0.455 1.00 39.51 ? 96 THR A CB 1 ATOM 1557 O OG1 . THR A 1 96 ? 17.211 21.185 -1.507 1.00 46.08 ? 96 THR A OG1 1 ATOM 1558 C CG2 . THR A 1 96 ? 17.573 21.056 0.863 1.00 33.75 ? 96 THR A CG2 1 ATOM 1559 H H . THR A 1 96 ? 18.795 24.099 1.222 1.00 34.54 ? 96 THR A H 1 ATOM 1560 H HA . THR A 1 96 ? 18.442 23.409 -1.515 1.00 34.29 ? 96 THR A HA 1 ATOM 1561 H HB . THR A 1 96 ? 19.059 21.138 -0.639 1.00 38.38 ? 96 THR A HB 1 ATOM 1562 H HG1 . THR A 1 96 ? 17.018 20.214 -1.440 1.00 47.12 ? 96 THR A HG1 1 ATOM 1563 H HG21 . THR A 1 96 ? 17.967 21.632 1.699 1.00 32.71 ? 96 THR A HG21 1 ATOM 1564 H HG22 . THR A 1 96 ? 16.488 21.116 0.859 1.00 33.85 ? 96 THR A HG22 1 ATOM 1565 H HG23 . THR A 1 96 ? 17.848 20.008 0.975 1.00 33.75 ? 96 THR A HG23 1 ATOM 1566 N N . TYR A 1 97 ? 15.921 23.612 -1.173 1.00 29.59 ? 97 TYR A N 1 ATOM 1567 C CA . TYR A 1 97 ? 14.591 24.192 -1.082 1.00 28.73 ? 97 TYR A CA 1 ATOM 1568 C C . TYR A 1 97 ? 13.641 23.446 -1.984 1.00 33.33 ? 97 TYR A C 1 ATOM 1569 O O . TYR A 1 97 ? 14.053 22.700 -2.851 1.00 35.12 ? 97 TYR A O 1 ATOM 1570 C CB . TYR A 1 97 ? 14.614 25.715 -1.415 1.00 28.78 ? 97 TYR A CB 1 ATOM 1571 C CG . TYR A 1 97 ? 14.789 26.075 -2.883 1.00 29.21 ? 97 TYR A CG 1 ATOM 1572 C CD1 . TYR A 1 97 ? 13.700 26.149 -3.733 1.00 29.36 ? 97 TYR A CD1 1 ATOM 1573 C CD2 . TYR A 1 97 ? 16.051 26.310 -3.423 1.00 30.30 ? 97 TYR A CD2 1 ATOM 1574 C CE1 . TYR A 1 97 ? 13.854 26.454 -5.077 1.00 30.25 ? 97 TYR A CE1 1 ATOM 1575 C CE2 . TYR A 1 97 ? 16.209 26.648 -4.759 1.00 30.52 ? 97 TYR A CE2 1 ATOM 1576 C CZ . TYR A 1 97 ? 15.109 26.683 -5.591 1.00 36.66 ? 97 TYR A CZ 1 ATOM 1577 O OH . TYR A 1 97 ? 15.200 27.016 -6.925 1.00 44.46 ? 97 TYR A OH 1 ATOM 1578 H H . TYR A 1 97 ? 16.085 23.041 -1.996 1.00 30.12 ? 97 TYR A H 1 ATOM 1579 H HA . TYR A 1 97 ? 14.231 24.083 -0.060 1.00 28.96 ? 97 TYR A HA 1 ATOM 1580 H HB2 . TYR A 1 97 ? 13.665 26.137 -1.090 1.00 28.86 ? 97 TYR A HB2 1 ATOM 1581 H HB3 . TYR A 1 97 ? 15.424 26.202 -0.875 1.00 29.09 ? 97 TYR A HB3 1 ATOM 1582 H HD1 . TYR A 1 97 ? 12.704 25.920 -3.355 1.00 27.97 ? 97 TYR A HD1 1 ATOM 1583 H HD2 . TYR A 1 97 ? 16.928 26.282 -2.778 1.00 30.16 ? 97 TYR A HD2 1 ATOM 1584 H HE1 . TYR A 1 97 ? 12.982 26.498 -5.729 1.00 30.34 ? 97 TYR A HE1 1 ATOM 1585 H HE2 . TYR A 1 97 ? 17.204 26.844 -5.156 1.00 31.20 ? 97 TYR A HE2 1 ATOM 1586 H HH . TYR A 1 97 ? 16.151 27.101 -7.200 1.00 43.92 ? 97 TYR A HH 1 ATOM 1587 N N . ASP A 1 98 ? 12.377 23.685 -1.783 1.00 31.94 ? 98 ASP A N 1 ATOM 1588 C CA . ASP A 1 98 ? 11.263 23.218 -2.595 1.00 31.68 ? 98 ASP A CA 1 ATOM 1589 C C . ASP A 1 98 ? 10.181 24.327 -2.484 1.00 35.02 ? 98 ASP A C 1 ATOM 1590 O O . ASP A 1 98 ? 10.456 25.393 -1.928 1.00 32.36 ? 98 ASP A O 1 ATOM 1591 C CB . ASP A 1 98 ? 10.764 21.860 -2.084 1.00 34.22 ? 98 ASP A CB 1 ATOM 1592 C CG . ASP A 1 98 ? 10.024 20.997 -3.102 1.00 48.27 ? 98 ASP A CG 1 ATOM 1593 O OD1 . ASP A 1 98 ? 9.417 21.564 -4.042 1.00 50.86 ? 98 ASP A OD1 1 ATOM 1594 O OD2 . ASP A 1 98 ? 10.021 19.766 -2.942 1.00 53.07 ? 98 ASP A OD2 1 ATOM 1595 H H . ASP A 1 98 ? 12.065 24.235 -0.988 1.00 33.20 ? 98 ASP A H 1 ATOM 1596 H HA . ASP A 1 98 ? 11.565 23.129 -3.637 1.00 31.26 ? 98 ASP A HA 1 ATOM 1597 H HB2 . ASP A 1 98 ? 11.652 21.300 -1.800 1.00 34.92 ? 98 ASP A HB2 1 ATOM 1598 H HB3 . ASP A 1 98 ? 10.126 22.012 -1.215 1.00 33.94 ? 98 ASP A HB3 1 ATOM 1599 N N . ASN A 1 99 ? 8.972 24.080 -2.981 1.00 33.07 ? 99 ASN A N 1 ATOM 1600 C CA . ASN A 1 99 ? 7.881 25.051 -2.925 1.00 32.80 ? 99 ASN A CA 1 ATOM 1601 C C . ASN A 1 99 ? 7.517 25.448 -1.504 1.00 36.08 ? 99 ASN A C 1 ATOM 1602 O O . ASN A 1 99 ? 7.117 26.583 -1.290 1.00 34.34 ? 99 ASN A O 1 ATOM 1603 C CB . ASN A 1 99 ? 6.618 24.471 -3.604 1.00 27.67 ? 99 ASN A CB 1 ATOM 1604 C CG . ASN A 1 99 ? 6.805 24.253 -5.079 1.00 37.82 ? 99 ASN A CG 1 ATOM 1605 O OD1 . ASN A 1 99 ? 7.252 25.155 -5.793 1.00 35.68 ? 99 ASN A OD1 1 ATOM 1606 N ND2 . ASN A 1 99 ? 6.466 23.062 -5.565 1.00 27.67 ? 99 ASN A ND2 1 ATOM 1607 H H . ASN A 1 99 ? 8.705 23.205 -3.418 1.00 33.95 ? 99 ASN A H 1 ATOM 1608 H HA . ASN A 1 99 ? 8.187 25.956 -3.449 1.00 33.09 ? 99 ASN A HA 1 ATOM 1609 H HB2 . ASN A 1 99 ? 6.365 23.525 -3.130 1.00 28.70 ? 99 ASN A HB2 1 ATOM 1610 H HB3 . ASN A 1 99 ? 5.787 25.161 -3.471 1.00 27.92 ? 99 ASN A HB3 1 ATOM 1611 H HD21 . ASN A 1 99 ? 6.097 22.333 -4.963 1.00 26.86 ? 99 ASN A HD21 1 ATOM 1612 H HD22 . ASN A 1 99 ? 6.569 22.880 -6.558 1.00 28.72 ? 99 ASN A HD22 1 ATOM 1613 N N . ASP A 1 100 ? 7.653 24.514 -0.533 1.00 31.75 ? 100 ASP A N 1 ATOM 1614 C CA . ASP A 1 100 ? 7.192 24.768 0.801 1.00 31.07 ? 100 ASP A CA 1 ATOM 1615 C C . ASP A 1 100 ? 8.247 24.622 1.887 1.00 31.31 ? 100 ASP A C 1 ATOM 1616 O O . ASP A 1 100 ? 7.888 24.650 3.059 1.00 29.23 ? 100 ASP A O 1 ATOM 1617 C CB . ASP A 1 100 ? 5.954 23.883 1.047 1.00 32.48 ? 100 ASP A CB 1 ATOM 1618 C CG . ASP A 1 100 ? 4.767 24.303 0.154 1.00 42.84 ? 100 ASP A CG 1 ATOM 1619 O OD1 . ASP A 1 100 ? 4.064 25.281 0.505 1.00 42.74 ? 100 ASP A OD1 1 ATOM 1620 O OD2 . ASP A 1 100 ? 4.613 23.734 -0.928 1.00 46.22 ? 100 ASP A OD2 1 ATOM 1621 H H . ASP A 1 100 ? 8.055 23.589 -0.648 1.00 31.71 ? 100 ASP A H 1 ATOM 1622 H HA . ASP A 1 100 ? 6.846 25.797 0.882 1.00 32.32 ? 100 ASP A HA 1 ATOM 1623 H HB2 . ASP A 1 100 ? 6.205 22.852 0.805 1.00 31.90 ? 100 ASP A HB2 1 ATOM 1624 H HB3 . ASP A 1 100 ? 5.645 23.942 2.089 1.00 31.83 ? 100 ASP A HB3 1 ATOM 1625 N N . PHE A 1 101 ? 9.533 24.595 1.544 1.00 29.85 ? 101 PHE A N 1 ATOM 1626 C CA . PHE A 1 101 ? 10.576 24.601 2.571 1.00 29.62 ? 101 PHE A CA 1 ATOM 1627 C C . PHE A 1 101 ? 11.875 25.214 2.063 1.00 31.62 ? 101 PHE A C 1 ATOM 1628 O O . PHE A 1 101 ? 12.131 25.267 0.870 1.00 29.07 ? 101 PHE A O 1 ATOM 1629 C CB . PHE A 1 101 ? 10.805 23.226 3.229 1.00 32.12 ? 101 PHE A CB 1 ATOM 1630 C CG . PHE A 1 101 ? 11.794 22.358 2.502 1.00 35.05 ? 101 PHE A CG 1 ATOM 1631 C CD1 . PHE A 1 101 ? 13.150 22.469 2.754 1.00 38.58 ? 101 PHE A CD1 1 ATOM 1632 C CD2 . PHE A 1 101 ? 11.378 21.485 1.504 1.00 37.22 ? 101 PHE A CD2 1 ATOM 1633 C CE1 . PHE A 1 101 ? 14.071 21.763 1.999 1.00 40.09 ? 101 PHE A CE1 1 ATOM 1634 C CE2 . PHE A 1 101 ? 12.307 20.758 0.766 1.00 39.35 ? 101 PHE A CE2 1 ATOM 1635 C CZ . PHE A 1 101 ? 13.645 20.909 1.012 1.00 37.95 ? 101 PHE A CZ 1 ATOM 1636 H H . PHE A 1 101 ? 9.892 24.559 0.595 1.00 30.65 ? 101 PHE A H 1 ATOM 1637 H HA . PHE A 1 101 ? 10.238 25.274 3.356 1.00 29.93 ? 101 PHE A HA 1 ATOM 1638 H HB2 . PHE A 1 101 ? 11.196 23.396 4.231 1.00 32.06 ? 101 PHE A HB2 1 ATOM 1639 H HB3 . PHE A 1 101 ? 9.866 22.678 3.288 1.00 32.82 ? 101 PHE A HB3 1 ATOM 1640 H HD1 . PHE A 1 101 ? 13.502 23.176 3.503 1.00 38.67 ? 101 PHE A HD1 1 ATOM 1641 H HD2 . PHE A 1 101 ? 10.315 21.367 1.298 1.00 36.40 ? 101 PHE A HD2 1 ATOM 1642 H HE1 . PHE A 1 101 ? 15.128 21.861 2.238 1.00 40.64 ? 101 PHE A HE1 1 ATOM 1643 H HE2 . PHE A 1 101 ? 11.971 20.041 0.019 1.00 38.91 ? 101 PHE A HE2 1 ATOM 1644 H HZ . PHE A 1 101 ? 14.368 20.294 0.478 1.00 37.88 ? 101 PHE A HZ 1 ATOM 1645 N N . LEU A 1 102 ? 12.655 25.734 3.006 1.00 28.81 ? 102 LEU A N 1 ATOM 1646 C CA . LEU A 1 102 ? 13.935 26.331 2.744 1.00 28.30 ? 102 LEU A CA 1 ATOM 1647 C C . LEU A 1 102 ? 14.899 25.987 3.875 1.00 30.29 ? 102 LEU A C 1 ATOM 1648 O O . LEU A 1 102 ? 14.549 26.123 5.053 1.00 28.09 ? 102 LEU A O 1 ATOM 1649 C CB . LEU A 1 102 ? 13.725 27.852 2.625 1.00 27.63 ? 102 LEU A CB 1 ATOM 1650 C CG . LEU A 1 102 ? 14.952 28.694 2.411 1.00 31.35 ? 102 LEU A CG 1 ATOM 1651 C CD1 . LEU A 1 102 ? 15.647 28.346 1.065 1.00 31.69 ? 102 LEU A CD1 1 ATOM 1652 C CD2 . LEU A 1 102 ? 14.601 30.157 2.495 1.00 33.47 ? 102 LEU A CD2 1 ATOM 1653 H H . LEU A 1 102 ? 12.388 25.794 3.984 1.00 29.29 ? 102 LEU A H 1 ATOM 1654 H HA . LEU A 1 102 ? 14.348 25.944 1.813 1.00 29.32 ? 102 LEU A HA 1 ATOM 1655 H HB2 . LEU A 1 102 ? 13.052 28.036 1.789 1.00 27.07 ? 102 LEU A HB2 1 ATOM 1656 H HB3 . LEU A 1 102 ? 13.253 28.198 3.542 1.00 27.47 ? 102 LEU A HB3 1 ATOM 1657 H HG . LEU A 1 102 ? 15.663 28.506 3.212 1.00 31.14 ? 102 LEU A HG 1 ATOM 1658 H HD11 . LEU A 1 102 ? 14.923 28.382 0.252 1.00 30.79 ? 102 LEU A HD11 1 ATOM 1659 H HD12 . LEU A 1 102 ? 16.443 29.068 0.888 1.00 31.92 ? 102 LEU A HD12 1 ATOM 1660 H HD13 . LEU A 1 102 ? 16.082 27.350 1.125 1.00 31.70 ? 102 LEU A HD13 1 ATOM 1661 H HD21 . LEU A 1 102 ? 14.264 30.374 3.508 1.00 32.83 ? 102 LEU A HD21 1 ATOM 1662 H HD22 . LEU A 1 102 ? 15.488 30.745 2.264 1.00 33.08 ? 102 LEU A HD22 1 ATOM 1663 H HD23 . LEU A 1 102 ? 13.807 30.375 1.783 1.00 32.93 ? 102 LEU A HD23 1 ATOM 1664 N N . LEU A 1 103 ? 16.106 25.551 3.520 1.00 28.17 ? 103 LEU A N 1 ATOM 1665 C CA . LEU A 1 103 ? 17.131 25.222 4.511 1.00 29.47 ? 103 LEU A CA 1 ATOM 1666 C C . LEU A 1 103 ? 18.349 26.113 4.239 1.00 33.18 ? 103 LEU A C 1 ATOM 1667 O O . LEU A 1 103 ? 18.957 26.004 3.177 1.00 32.25 ? 103 LEU A O 1 ATOM 1668 C CB . LEU A 1 103 ? 17.498 23.726 4.426 1.00 29.44 ? 103 LEU A CB 1 ATOM 1669 C CG . LEU A 1 103 ? 18.536 23.215 5.408 1.00 34.07 ? 103 LEU A CG 1 ATOM 1670 C CD1 . LEU A 1 103 ? 18.076 23.394 6.844 1.00 33.72 ? 103 LEU A CD1 1 ATOM 1671 C CD2 . LEU A 1 103 ? 18.821 21.739 5.144 1.00 33.36 ? 103 LEU A CD2 1 ATOM 1672 H H . LEU A 1 103 ? 16.419 25.417 2.564 1.00 27.46 ? 103 LEU A H 1 ATOM 1673 H HA . LEU A 1 103 ? 16.759 25.429 5.512 1.00 29.32 ? 103 LEU A HA 1 ATOM 1674 H HB2 . LEU A 1 103 ? 16.592 23.144 4.594 1.00 28.57 ? 103 LEU A HB2 1 ATOM 1675 H HB3 . LEU A 1 103 ? 17.877 23.518 3.428 1.00 29.48 ? 103 LEU A HB3 1 ATOM 1676 H HG . LEU A 1 103 ? 19.473 23.754 5.278 1.00 34.21 ? 103 LEU A HG 1 ATOM 1677 H HD11 . LEU A 1 103 ? 17.120 22.891 6.980 1.00 33.31 ? 103 LEU A HD11 1 ATOM 1678 H HD12 . LEU A 1 103 ? 18.823 22.948 7.498 1.00 33.84 ? 103 LEU A HD12 1 ATOM 1679 H HD13 . LEU A 1 103 ? 17.987 24.451 7.082 1.00 33.19 ? 103 LEU A HD13 1 ATOM 1680 H HD21 . LEU A 1 103 ? 17.877 21.198 5.101 1.00 33.02 ? 103 LEU A HD21 1 ATOM 1681 H HD22 . LEU A 1 103 ? 19.334 21.653 4.187 1.00 33.43 ? 103 LEU A HD22 1 ATOM 1682 H HD23 . LEU A 1 103 ? 19.445 21.343 5.943 1.00 32.92 ? 103 LEU A HD23 1 ATOM 1683 N N . LEU A 1 104 ? 18.669 27.003 5.195 1.00 29.01 ? 104 LEU A N 1 ATOM 1684 C CA . LEU A 1 104 ? 19.758 27.967 5.118 1.00 29.33 ? 104 LEU A CA 1 ATOM 1685 C C . LEU A 1 104 ? 20.883 27.655 6.070 1.00 33.19 ? 104 LEU A C 1 ATOM 1686 O O . LEU A 1 104 ? 20.628 27.148 7.147 1.00 32.80 ? 104 LEU A O 1 ATOM 1687 C CB . LEU A 1 104 ? 19.235 29.375 5.472 1.00 29.21 ? 104 LEU A CB 1 ATOM 1688 C CG . LEU A 1 104 ? 18.148 29.954 4.634 1.00 32.51 ? 104 LEU A CG 1 ATOM 1689 C CD1 . LEU A 1 104 ? 17.738 31.348 5.198 1.00 32.80 ? 104 LEU A CD1 1 ATOM 1690 C CD2 . LEU A 1 104 ? 18.572 30.034 3.172 1.00 32.95 ? 104 LEU A CD2 1 ATOM 1691 H H . LEU A 1 104 ? 18.160 27.082 6.070 1.00 29.83 ? 104 LEU A H 1 ATOM 1692 H HA . LEU A 1 104 ? 20.162 27.980 4.108 1.00 31.19 ? 104 LEU A HA 1 ATOM 1693 H HB2 . LEU A 1 104 ? 18.837 29.348 6.483 1.00 29.88 ? 104 LEU A HB2 1 ATOM 1694 H HB3 . LEU A 1 104 ? 20.073 30.070 5.445 1.00 29.34 ? 104 LEU A HB3 1 ATOM 1695 H HG . LEU A 1 104 ? 17.282 29.299 4.703 1.00 32.12 ? 104 LEU A HG 1 ATOM 1696 H HD11 . LEU A 1 104 ? 18.599 32.013 5.146 1.00 32.85 ? 104 LEU A HD11 1 ATOM 1697 H HD12 . LEU A 1 104 ? 16.917 31.754 4.608 1.00 32.00 ? 104 LEU A HD12 1 ATOM 1698 H HD13 . LEU A 1 104 ? 17.429 31.238 6.236 1.00 32.27 ? 104 LEU A HD13 1 ATOM 1699 H HD21 . LEU A 1 104 ? 19.586 30.427 3.112 1.00 32.57 ? 104 LEU A HD21 1 ATOM 1700 H HD22 . LEU A 1 104 ? 18.537 29.032 2.746 1.00 33.01 ? 104 LEU A HD22 1 ATOM 1701 H HD23 . LEU A 1 104 ? 17.885 30.681 2.630 1.00 33.13 ? 104 LEU A HD23 1 ATOM 1702 N N . SER A 1 105 ? 22.115 28.007 5.701 1.00 31.01 ? 105 SER A N 1 ATOM 1703 C CA . SER A 1 105 ? 23.305 27.805 6.553 1.00 30.85 ? 105 SER A CA 1 ATOM 1704 C C . SER A 1 105 ? 24.080 29.102 6.626 1.00 34.77 ? 105 SER A C 1 ATOM 1705 O O . SER A 1 105 ? 24.086 29.867 5.675 1.00 31.44 ? 105 SER A O 1 ATOM 1706 C CB . SER A 1 105 ? 24.272 26.738 5.999 1.00 32.75 ? 105 SER A CB 1 ATOM 1707 O OG . SER A 1 105 ? 23.840 25.405 6.167 1.00 41.93 ? 105 SER A OG 1 ATOM 1708 H H . SER A 1 105 ? 22.328 28.443 4.809 1.00 31.44 ? 105 SER A H 1 ATOM 1709 H HA . SER A 1 105 ? 23.002 27.503 7.553 1.00 30.57 ? 105 SER A HA 1 ATOM 1710 H HB2 . SER A 1 105 ? 24.433 26.915 4.938 1.00 32.50 ? 105 SER A HB2 1 ATOM 1711 H HB3 . SER A 1 105 ? 25.231 26.816 6.502 1.00 30.93 ? 105 SER A HB3 1 ATOM 1712 H HG . SER A 1 105 ? 23.090 25.343 6.815 1.00 42.73 ? 105 SER A HG 1 ATOM 1713 N N . ASP A 1 106 ? 24.849 29.260 7.687 1.00 37.30 ? 106 ASP A N 1 ATOM 1714 C CA . ASP A 1 106 ? 25.761 30.388 7.826 1.00 41.36 ? 106 ASP A CA 1 ATOM 1715 C C . ASP A 1 106 ? 26.963 30.263 6.857 1.00 49.10 ? 106 ASP A C 1 ATOM 1716 O O . ASP A 1 106 ? 27.466 29.168 6.631 1.00 46.74 ? 106 ASP A O 1 ATOM 1717 C CB . ASP A 1 106 ? 26.302 30.482 9.268 1.00 44.60 ? 106 ASP A CB 1 ATOM 1718 C CG . ASP A 1 106 ? 26.857 31.857 9.542 1.00 63.66 ? 106 ASP A CG 1 ATOM 1719 O OD1 . ASP A 1 106 ? 26.058 32.802 9.627 1.00 65.27 ? 106 ASP A OD1 1 ATOM 1720 O OD2 . ASP A 1 106 ? 28.094 32.013 9.507 1.00 76.67 ? 106 ASP A OD2 1 ATOM 1721 H H . ASP A 1 106 ? 24.856 28.618 8.473 1.00 36.59 ? 106 ASP A H 1 ATOM 1722 H HA . ASP A 1 106 ? 25.211 31.300 7.595 1.00 41.26 ? 106 ASP A HA 1 ATOM 1723 H HB2 . ASP A 1 106 ? 25.493 30.307 9.976 1.00 44.76 ? 106 ASP A HB2 1 ATOM 1724 H HB3 . ASP A 1 106 ? 27.092 29.746 9.408 1.00 43.90 ? 106 ASP A HB3 1 ATOM 1725 N N . LEU A 1 107 ? 27.450 31.393 6.344 1.00 53.00 ? 107 LEU A N 1 ATOM 1726 C CA . LEU A 1 107 ? 28.586 31.440 5.407 1.00 56.18 ? 107 LEU A CA 1 ATOM 1727 C C . LEU A 1 107 ? 29.958 31.356 6.054 1.00 63.46 ? 107 LEU A C 1 ATOM 1728 O O . LEU A 1 107 ? 30.792 30.620 5.553 1.00 65.42 ? 107 LEU A O 1 ATOM 1729 C CB . LEU A 1 107 ? 28.551 32.734 4.569 1.00 57.38 ? 107 LEU A CB 1 ATOM 1730 C CG . LEU A 1 107 ? 28.466 32.549 3.068 1.00 63.35 ? 107 LEU A CG 1 ATOM 1731 C CD1 . LEU A 1 107 ? 27.077 32.158 2.670 1.00 64.44 ? 107 LEU A CD1 1 ATOM 1732 C CD2 . LEU A 1 107 ? 28.888 33.828 2.346 1.00 65.40 ? 107 LEU A CD2 1 ATOM 1733 H H . LEU A 1 107 ? 27.079 32.305 6.591 1.00 53.76 ? 107 LEU A H 1 ATOM 1734 H HA . LEU A 1 107 ? 28.503 30.604 4.715 1.00 56.24 ? 107 LEU A HA 1 ATOM 1735 H HB2 . LEU A 1 107 ? 27.689 33.338 4.850 1.00 57.71 ? 107 LEU A HB2 1 ATOM 1736 H HB3 . LEU A 1 107 ? 29.458 33.305 4.763 1.00 57.31 ? 107 LEU A HB3 1 ATOM 1737 H HG . LEU A 1 107 ? 29.139 31.750 2.760 1.00 63.47 ? 107 LEU A HG 1 ATOM 1738 H HD11 . LEU A 1 107 ? 26.645 31.509 3.430 1.00 64.54 ? 107 LEU A HD11 1 ATOM 1739 H HD12 . LEU A 1 107 ? 26.468 33.054 2.563 1.00 64.63 ? 107 LEU A HD12 1 ATOM 1740 H HD13 . LEU A 1 107 ? 27.139 31.626 1.722 1.00 64.56 ? 107 LEU A HD13 1 ATOM 1741 H HD21 . LEU A 1 107 ? 28.292 34.659 2.717 1.00 65.32 ? 107 LEU A HD21 1 ATOM 1742 H HD22 . LEU A 1 107 ? 29.943 34.018 2.539 1.00 65.13 ? 107 LEU A HD22 1 ATOM 1743 H HD23 . LEU A 1 107 ? 28.722 33.698 1.278 1.00 65.87 ? 107 LEU A HD23 1 ATOM 1744 N N . LYS A 1 108 ? 30.216 32.145 7.102 1.00 62.51 ? 108 LYS A N 1 ATOM 1745 C CA . LYS A 1 108 ? 31.552 32.301 7.696 1.00 65.00 ? 108 LYS A CA 1 ATOM 1746 C C . LYS A 1 108 ? 31.941 31.333 8.832 1.00 71.32 ? 108 LYS A C 1 ATOM 1747 O O . LYS A 1 108 ? 33.127 31.288 9.183 1.00 72.31 ? 108 LYS A O 1 ATOM 1748 C CB . LYS A 1 108 ? 31.733 33.751 8.185 1.00 68.80 ? 108 LYS A CB 1 ATOM 1749 C CG . LYS A 1 108 ? 31.685 34.782 7.049 1.00 91.56 ? 108 LYS A CG 1 ATOM 1750 C CD . LYS A 1 108 ? 31.781 36.215 7.569 1.00 107.42 ? 108 LYS A CD 1 ATOM 1751 C CE . LYS A 1 108 ? 31.767 37.248 6.461 1.00 122.71 ? 108 LYS A CE 1 ATOM 1752 N NZ . LYS A 1 108 ? 30.392 37.531 5.965 1.00 131.06 ? 108 LYS A NZ 1 ATOM 1753 H H . LYS A 1 108 ? 29.502 32.684 7.581 1.00 62.52 ? 108 LYS A H 1 ATOM 1754 H HA . LYS A 1 108 ? 32.295 32.163 6.911 1.00 65.21 ? 108 LYS A HA 1 ATOM 1755 H HB2 . LYS A 1 108 ? 30.942 33.990 8.894 1.00 68.80 ? 108 LYS A HB2 1 ATOM 1756 H HB3 . LYS A 1 108 ? 32.705 33.845 8.669 1.00 68.67 ? 108 LYS A HB3 1 ATOM 1757 H HG2 . LYS A 1 108 ? 32.523 34.611 6.374 1.00 91.46 ? 108 LYS A HG2 1 ATOM 1758 H HG3 . LYS A 1 108 ? 30.745 34.682 6.507 1.00 91.61 ? 108 LYS A HG3 1 ATOM 1759 H HD2 . LYS A 1 108 ? 30.932 36.409 8.222 1.00 107.50 ? 108 LYS A HD2 1 ATOM 1760 H HD3 . LYS A 1 108 ? 32.710 36.331 8.126 1.00 107.35 ? 108 LYS A HD3 1 ATOM 1761 H HE2 . LYS A 1 108 ? 32.189 38.180 6.836 1.00 122.77 ? 108 LYS A HE2 1 ATOM 1762 H HE3 . LYS A 1 108 ? 32.359 36.881 5.624 1.00 122.80 ? 108 LYS A HE3 1 ATOM 1763 H HZ1 . LYS A 1 108 ? 29.809 37.872 6.722 1.00 131.03 ? 108 LYS A HZ1 1 ATOM 1764 H HZ2 . LYS A 1 108 ? 30.427 38.236 5.236 1.00 131.00 ? 108 LYS A HZ2 1 ATOM 1765 H HZ3 . LYS A 1 108 ? 29.977 36.687 5.583 1.00 131.01 ? 108 LYS A HZ3 1 ATOM 1766 N N . GLU A 1 109 ? 30.999 30.568 9.395 1.00 67.32 ? 109 GLU A N 1 ATOM 1767 C CA . GLU A 1 109 ? 31.335 29.616 10.455 1.00 67.35 ? 109 GLU A CA 1 ATOM 1768 C C . GLU A 1 109 ? 31.764 28.266 9.841 1.00 70.08 ? 109 GLU A C 1 ATOM 1769 O O . GLU A 1 109 ? 31.110 27.797 8.901 1.00 69.74 ? 109 GLU A O 1 ATOM 1770 C CB . GLU A 1 109 ? 30.129 29.405 11.375 1.00 69.35 ? 109 GLU A CB 1 ATOM 1771 C CG . GLU A 1 109 ? 29.735 30.638 12.169 1.00 85.51 ? 109 GLU A CG 1 ATOM 1772 C CD . GLU A 1 109 ? 28.357 30.560 12.809 1.00 108.56 ? 109 GLU A CD 1 ATOM 1773 O OE1 . GLU A 1 109 ? 27.446 29.951 12.198 1.00 85.34 ? 109 GLU A OE1 1 ATOM 1774 O OE2 . GLU A 1 109 ? 28.181 31.134 13.910 1.00 101.89 ? 109 GLU A OE2 1 ATOM 1775 H H . GLU A 1 109 ? 30.016 30.587 9.146 1.00 67.15 ? 109 GLU A H 1 ATOM 1776 H HA . GLU A 1 109 ? 32.144 29.999 11.075 1.00 67.50 ? 109 GLU A HA 1 ATOM 1777 H HB2 . GLU A 1 109 ? 29.283 29.117 10.755 1.00 69.46 ? 109 GLU A HB2 1 ATOM 1778 H HB3 . GLU A 1 109 ? 30.351 28.609 12.084 1.00 69.38 ? 109 GLU A HB3 1 ATOM 1779 H HG2 . GLU A 1 109 ? 30.463 30.775 12.968 1.00 85.77 ? 109 GLU A HG2 1 ATOM 1780 H HG3 . GLU A 1 109 ? 29.752 31.508 11.515 1.00 85.56 ? 109 GLU A HG3 1 ATOM 1781 N N . VAL A 1 110 ? 32.863 27.645 10.364 1.00 65.99 ? 110 VAL A N 1 ATOM 1782 C CA . VAL A 1 110 ? 33.332 26.317 9.897 1.00 64.57 ? 110 VAL A CA 1 ATOM 1783 C C . VAL A 1 110 ? 32.278 25.284 10.284 1.00 62.40 ? 110 VAL A C 1 ATOM 1784 O O . VAL A 1 110 ? 31.907 24.474 9.453 1.00 63.08 ? 110 VAL A O 1 ATOM 1785 C CB . VAL A 1 110 ? 34.764 25.909 10.384 1.00 70.11 ? 110 VAL A CB 1 ATOM 1786 C CG1 . VAL A 1 110 ? 34.847 25.731 11.912 1.00 70.52 ? 110 VAL A CG1 1 ATOM 1787 C CG2 . VAL A 1 110 ? 35.231 24.628 9.684 1.00 70.30 ? 110 VAL A CG2 1 ATOM 1788 H H . VAL A 1 110 ? 33.442 28.057 11.088 1.00 66.18 ? 110 VAL A H 1 ATOM 1789 H HA . VAL A 1 110 ? 33.370 26.337 8.809 1.00 63.88 ? 110 VAL A HA 1 ATOM 1790 H HB . VAL A 1 110 ? 35.458 26.702 10.108 1.00 69.61 ? 110 VAL A HB 1 ATOM 1791 H HG11 . VAL A 1 110 ? 34.409 26.588 12.422 1.00 70.89 ? 110 VAL A HG11 1 ATOM 1792 H HG12 . VAL A 1 110 ? 34.325 24.820 12.203 1.00 70.50 ? 110 VAL A HG12 1 ATOM 1793 H HG13 . VAL A 1 110 ? 35.895 25.636 12.191 1.00 70.55 ? 110 VAL A HG13 1 ATOM 1794 H HG21 . VAL A 1 110 ? 35.145 24.759 8.606 1.00 70.78 ? 110 VAL A HG21 1 ATOM 1795 H HG22 . VAL A 1 110 ? 36.269 24.442 9.956 1.00 70.36 ? 110 VAL A HG22 1 ATOM 1796 H HG23 . VAL A 1 110 ? 34.621 23.786 10.005 1.00 70.10 ? 110 VAL A HG23 1 ATOM 1797 N N . ARG A 1 111 ? 31.758 25.357 11.518 1.00 54.06 ? 111 ARG A N 1 ATOM 1798 C CA . ARG A 1 111 ? 30.672 24.498 11.996 1.00 52.71 ? 111 ARG A CA 1 ATOM 1799 C C . ARG A 1 111 ? 29.411 25.337 11.738 1.00 53.65 ? 111 ARG A C 1 ATOM 1800 O O . ARG A 1 111 ? 28.874 26.010 12.605 1.00 55.27 ? 111 ARG A O 1 ATOM 1801 C CB . ARG A 1 111 ? 30.896 24.143 13.471 1.00 52.66 ? 111 ARG A CB 1 ATOM 1802 C CG . ARG A 1 111 ? 30.144 22.933 13.943 1.00 63.76 ? 111 ARG A CG 1 ATOM 1803 C CD . ARG A 1 111 ? 30.830 22.310 15.142 1.00 67.31 ? 111 ARG A CD 1 ATOM 1804 N NE . ARG A 1 111 ? 30.045 21.194 15.660 1.00 60.48 ? 111 ARG A NE 1 ATOM 1805 C CZ . ARG A 1 111 ? 28.961 21.315 16.417 1.00 67.82 ? 111 ARG A CZ 1 ATOM 1806 N NH1 . ARG A 1 111 ? 28.522 22.518 16.781 1.00 52.62 ? 111 ARG A NH1 1 ATOM 1807 N NH2 . ARG A 1 111 ? 28.304 20.236 16.817 1.00 56.45 ? 111 ARG A NH2 1 ATOM 1808 H H . ARG A 1 111 ? 32.065 26.023 12.220 1.00 53.61 ? 111 ARG A H 1 ATOM 1809 H HA . ARG A 1 111 ? 30.617 23.578 11.416 1.00 53.46 ? 111 ARG A HA 1 ATOM 1810 H HB2 . ARG A 1 111 ? 31.955 23.925 13.597 1.00 52.83 ? 111 ARG A HB2 1 ATOM 1811 H HB3 . ARG A 1 111 ? 30.623 24.983 14.107 1.00 52.63 ? 111 ARG A HB3 1 ATOM 1812 H HG2 . ARG A 1 111 ? 29.128 23.218 14.211 1.00 63.69 ? 111 ARG A HG2 1 ATOM 1813 H HG3 . ARG A 1 111 ? 30.129 22.178 13.159 1.00 63.84 ? 111 ARG A HG3 1 ATOM 1814 H HD2 . ARG A 1 111 ? 31.790 21.907 14.820 1.00 67.23 ? 111 ARG A HD2 1 ATOM 1815 H HD3 . ARG A 1 111 ? 30.993 23.054 15.920 1.00 67.21 ? 111 ARG A HD3 1 ATOM 1816 H HE . ARG A 1 111 ? 30.342 20.259 15.399 1.00 60.08 ? 111 ARG A HE 1 ATOM 1817 H HH11 . ARG A 1 111 ? 28.976 23.380 16.500 1.00 52.12 ? 111 ARG A HH11 1 ATOM 1818 H HH12 . ARG A 1 111 ? 27.695 22.590 17.364 1.00 52.18 ? 111 ARG A HH12 1 ATOM 1819 H HH21 . ARG A 1 111 ? 28.634 19.314 16.547 1.00 56.22 ? 111 ARG A HH21 1 ATOM 1820 H HH22 . ARG A 1 111 ? 27.484 20.318 17.407 1.00 56.22 ? 111 ARG A HH22 1 ATOM 1821 N N . SER A 1 112 ? 29.019 25.375 10.483 1.00 46.70 ? 112 SER A N 1 ATOM 1822 C CA . SER A 1 112 ? 27.960 26.244 10.007 1.00 44.81 ? 112 SER A CA 1 ATOM 1823 C C . SER A 1 112 ? 26.561 26.042 10.654 1.00 45.77 ? 112 SER A C 1 ATOM 1824 O O . SER A 1 112 ? 25.993 24.958 10.525 1.00 44.46 ? 112 SER A O 1 ATOM 1825 C CB . SER A 1 112 ? 27.854 26.102 8.505 1.00 46.35 ? 112 SER A CB 1 ATOM 1826 O OG . SER A 1 112 ? 26.936 27.046 8.007 1.00 56.86 ? 112 SER A OG 1 ATOM 1827 H H . SER A 1 112 ? 29.411 24.777 9.762 1.00 46.68 ? 112 SER A H 1 ATOM 1828 H HA . SER A 1 112 ? 28.270 27.269 10.200 1.00 44.10 ? 112 SER A HA 1 ATOM 1829 H HB2 . SER A 1 112 ? 28.830 26.319 8.076 1.00 46.88 ? 112 SER A HB2 1 ATOM 1830 H HB3 . SER A 1 112 ? 27.533 25.092 8.255 1.00 46.27 ? 112 SER A HB3 1 ATOM 1831 H HG . SER A 1 112 ? 27.339 27.503 7.223 1.00 56.83 ? 112 SER A HG 1 ATOM 1832 N N . THR A 1 113 ? 26.003 27.109 11.286 1.00 37.68 ? 113 THR A N 1 ATOM 1833 C CA . THR A 1 113 ? 24.681 27.046 11.891 1.00 36.74 ? 113 THR A CA 1 ATOM 1834 C C . THR A 1 113 ? 23.630 27.059 10.787 1.00 39.52 ? 113 THR A C 1 ATOM 1835 O O . THR A 1 113 ? 23.827 27.667 9.738 1.00 39.40 ? 113 THR A O 1 ATOM 1836 C CB . THR A 1 113 ? 24.433 28.147 12.917 1.00 38.61 ? 113 THR A CB 1 ATOM 1837 O OG1 . THR A 1 113 ? 24.474 29.408 12.282 1.00 38.40 ? 113 THR A OG1 1 ATOM 1838 C CG2 . THR A 1 113 ? 25.386 28.069 14.106 1.00 36.33 ? 113 THR A CG2 1 ATOM 1839 H H . THR A 1 113 ? 26.441 28.020 11.367 1.00 37.78 ? 113 THR A H 1 ATOM 1840 H HA . THR A 1 113 ? 24.613 26.101 12.425 1.00 36.74 ? 113 THR A HA 1 ATOM 1841 H HB . THR A 1 113 ? 23.420 28.026 13.296 1.00 38.58 ? 113 THR A HB 1 ATOM 1842 H HG1 . THR A 1 113 ? 25.372 29.819 12.382 1.00 39.57 ? 113 THR A HG1 1 ATOM 1843 H HG21 . THR A 1 113 ? 26.418 28.161 13.771 1.00 36.01 ? 113 THR A HG21 1 ATOM 1844 H HG22 . THR A 1 113 ? 25.167 28.872 14.808 1.00 36.79 ? 113 THR A HG22 1 ATOM 1845 H HG23 . THR A 1 113 ? 25.260 27.115 14.615 1.00 35.79 ? 113 THR A HG23 1 ATOM 1846 N N . CYS A 1 114 ? 22.499 26.473 11.103 1.00 36.41 ? 114 CYS A N 1 ATOM 1847 C CA A CYS A 1 114 ? 21.405 26.319 10.146 0.50 36.35 ? 114 CYS A CA 1 ATOM 1848 C CA B CYS A 1 114 ? 21.377 26.144 10.246 0.50 37.48 ? 114 CYS A CA 1 ATOM 1849 C C . CYS A 1 114 ? 20.057 26.748 10.689 1.00 36.57 ? 114 CYS A C 1 ATOM 1850 O O . CYS A 1 114 ? 19.840 26.800 11.879 1.00 34.98 ? 114 CYS A O 1 ATOM 1851 C CB A CYS A 1 114 ? 21.344 24.875 9.638 0.50 37.62 ? 114 CYS A CB 1 ATOM 1852 C CB B CYS A 1 114 ? 21.258 24.633 10.329 0.50 39.55 ? 114 CYS A CB 1 ATOM 1853 S SG A CYS A 1 114 ? 20.080 23.858 10.457 0.50 42.16 ? 114 CYS A SG 1 ATOM 1854 S SG B CYS A 1 114 ? 21.605 23.749 8.817 0.50 44.14 ? 114 CYS A SG 1 ATOM 1855 H H A CYS A 1 114 ? 22.292 26.084 12.017 0.50 36.43 ? 114 CYS A H 1 ATOM 1856 H H B CYS A 1 114 ? 22.293 26.227 12.066 0.50 36.48 ? 114 CYS A H 1 ATOM 1857 H HA A CYS A 1 114 ? 21.596 26.959 9.288 0.50 36.28 ? 114 CYS A HA 1 ATOM 1858 H HA B CYS A 1 114 ? 21.593 26.435 9.220 0.50 37.54 ? 114 CYS A HA 1 ATOM 1859 H HB2 A CYS A 1 114 ? 21.106 24.892 8.576 0.50 36.94 ? 114 CYS A HB2 1 ATOM 1860 H HB2 B CYS A 1 114 ? 21.992 24.268 11.046 0.50 39.50 ? 114 CYS A HB2 1 ATOM 1861 H HB3 A CYS A 1 114 ? 22.310 24.394 9.790 0.50 36.96 ? 114 CYS A HB3 1 ATOM 1862 H HB3 B CYS A 1 114 ? 20.255 24.358 10.654 0.50 39.82 ? 114 CYS A HB3 1 ATOM 1863 N N . SER A 1 115 ? 19.126 26.984 9.755 1.00 31.02 ? 115 SER A N 1 ATOM 1864 C CA . SER A 1 115 ? 17.728 27.331 10.019 1.00 29.86 ? 115 SER A CA 1 ATOM 1865 C C . SER A 1 115 ? 16.862 26.674 8.927 1.00 33.57 ? 115 SER A C 1 ATOM 1866 O O . SER A 1 115 ? 17.216 26.703 7.739 1.00 31.03 ? 115 SER A O 1 ATOM 1867 C CB . SER A 1 115 ? 17.472 28.829 10.153 1.00 29.89 ? 115 SER A CB 1 ATOM 1868 O OG . SER A 1 115 ? 17.736 29.585 8.996 1.00 30.20 ? 115 SER A OG 1 ATOM 1869 H H . SER A 1 115 ? 19.330 26.953 8.760 1.00 30.99 ? 115 SER A H 1 ATOM 1870 H HA . SER A 1 115 ? 17.444 26.886 10.970 1.00 30.03 ? 115 SER A HA 1 ATOM 1871 H HB2 . SER A 1 115 ? 16.419 28.963 10.396 1.00 29.37 ? 115 SER A HB2 1 ATOM 1872 H HB3 . SER A 1 115 ? 18.088 29.218 10.963 1.00 30.41 ? 115 SER A HB3 1 ATOM 1873 H HG . SER A 1 115 ? 18.420 29.122 8.449 1.00 30.86 ? 115 SER A HG 1 ATOM 1874 N N . LEU A 1 116 ? 15.779 26.020 9.363 1.00 29.32 ? 116 LEU A N 1 ATOM 1875 C CA . LEU A 1 116 ? 14.825 25.345 8.511 1.00 27.95 ? 116 LEU A CA 1 ATOM 1876 C C . LEU A 1 116 ? 13.529 26.127 8.584 1.00 29.97 ? 116 LEU A C 1 ATOM 1877 O O . LEU A 1 116 ? 13.063 26.421 9.671 1.00 28.09 ? 116 LEU A O 1 ATOM 1878 C CB . LEU A 1 116 ? 14.614 23.896 8.986 1.00 27.28 ? 116 LEU A CB 1 ATOM 1879 C CG . LEU A 1 116 ? 13.504 23.110 8.278 1.00 30.58 ? 116 LEU A CG 1 ATOM 1880 C CD1 . LEU A 1 116 ? 13.836 22.869 6.849 1.00 30.59 ? 116 LEU A CD1 1 ATOM 1881 C CD2 . LEU A 1 116 ? 13.216 21.833 9.012 1.00 33.96 ? 116 LEU A CD2 1 ATOM 1882 H H . LEU A 1 116 ? 15.522 25.952 10.342 1.00 30.53 ? 116 LEU A H 1 ATOM 1883 H HA . LEU A 1 116 ? 15.185 25.323 7.485 1.00 28.40 ? 116 LEU A HA 1 ATOM 1884 H HB2 . LEU A 1 116 ? 15.548 23.355 8.839 1.00 28.08 ? 116 LEU A HB2 1 ATOM 1885 H HB3 . LEU A 1 116 ? 14.380 23.913 10.049 1.00 26.83 ? 116 LEU A HB3 1 ATOM 1886 H HG . LEU A 1 116 ? 12.575 23.677 8.297 1.00 30.62 ? 116 LEU A HG 1 ATOM 1887 H HD11 . LEU A 1 116 ? 14.775 22.322 6.797 1.00 30.99 ? 116 LEU A HD11 1 ATOM 1888 H HD12 . LEU A 1 116 ? 13.033 22.291 6.394 1.00 30.37 ? 116 LEU A HD12 1 ATOM 1889 H HD13 . LEU A 1 116 ? 13.926 23.818 6.324 1.00 30.84 ? 116 LEU A HD13 1 ATOM 1890 H HD21 . LEU A 1 116 ? 12.823 22.075 9.999 1.00 32.61 ? 116 LEU A HD21 1 ATOM 1891 H HD22 . LEU A 1 116 ? 12.491 21.250 8.446 1.00 33.68 ? 116 LEU A HD22 1 ATOM 1892 H HD23 . LEU A 1 116 ? 14.143 21.271 9.114 1.00 35.00 ? 116 LEU A HD23 1 ATOM 1893 N N . TRP A 1 117 ? 12.975 26.470 7.420 1.00 26.90 ? 117 TRP A N 1 ATOM 1894 C CA . TRP A 1 117 ? 11.760 27.247 7.257 1.00 26.32 ? 117 TRP A CA 1 ATOM 1895 C C . TRP A 1 117 ? 10.791 26.458 6.444 1.00 29.40 ? 117 TRP A C 1 ATOM 1896 O O . TRP A 1 117 ? 11.175 25.837 5.470 1.00 29.72 ? 117 TRP A O 1 ATOM 1897 C CB . TRP A 1 117 ? 12.081 28.561 6.521 1.00 25.95 ? 117 TRP A CB 1 ATOM 1898 C CG . TRP A 1 117 ? 13.124 29.371 7.204 1.00 26.90 ? 117 TRP A CG 1 ATOM 1899 C CD1 . TRP A 1 117 ? 14.476 29.253 7.063 1.00 29.19 ? 117 TRP A CD1 1 ATOM 1900 C CD2 . TRP A 1 117 ? 12.907 30.407 8.177 1.00 27.10 ? 117 TRP A CD2 1 ATOM 1901 N NE1 . TRP A 1 117 ? 15.114 30.088 7.945 1.00 28.69 ? 117 TRP A NE1 1 ATOM 1902 C CE2 . TRP A 1 117 ? 14.178 30.841 8.610 1.00 30.41 ? 117 TRP A CE2 1 ATOM 1903 C CE3 . TRP A 1 117 ? 11.762 31.032 8.707 1.00 28.66 ? 117 TRP A CE3 1 ATOM 1904 C CZ2 . TRP A 1 117 ? 14.338 31.866 9.541 1.00 30.79 ? 117 TRP A CZ2 1 ATOM 1905 C CZ3 . TRP A 1 117 ? 11.920 31.995 9.709 1.00 29.52 ? 117 TRP A CZ3 1 ATOM 1906 C CH2 . TRP A 1 117 ? 13.198 32.404 10.112 1.00 30.36 ? 117 TRP A CH2 1 ATOM 1907 H H . TRP A 1 117 ? 13.383 26.225 6.523 1.00 27.80 ? 117 TRP A H 1 ATOM 1908 H HA . TRP A 1 117 ? 11.333 27.493 8.226 1.00 25.95 ? 117 TRP A HA 1 ATOM 1909 H HB2 . TRP A 1 117 ? 12.452 28.313 5.529 1.00 26.34 ? 117 TRP A HB2 1 ATOM 1910 H HB3 . TRP A 1 117 ? 11.189 29.180 6.447 1.00 26.24 ? 117 TRP A HB3 1 ATOM 1911 H HD1 . TRP A 1 117 ? 14.976 28.524 6.428 1.00 29.03 ? 117 TRP A HD1 1 ATOM 1912 H HE1 . TRP A 1 117 ? 16.119 30.207 8.014 1.00 29.78 ? 117 TRP A HE1 1 ATOM 1913 H HE3 . TRP A 1 117 ? 10.772 30.680 8.423 1.00 30.00 ? 117 TRP A HE3 1 ATOM 1914 H HZ2 . TRP A 1 117 ? 15.337 32.189 9.825 1.00 32.42 ? 117 TRP A HZ2 1 ATOM 1915 H HZ3 . TRP A 1 117 ? 11.046 32.490 10.127 1.00 28.15 ? 117 TRP A HZ3 1 ATOM 1916 H HH2 . TRP A 1 117 ? 13.304 33.222 10.823 1.00 30.25 ? 117 TRP A HH2 1 ATOM 1917 N N . VAL A 1 118 ? 9.539 26.454 6.853 1.00 28.17 ? 118 VAL A N 1 ATOM 1918 C CA . VAL A 1 118 ? 8.481 25.764 6.154 1.00 27.34 ? 118 VAL A CA 1 ATOM 1919 C C . VAL A 1 118 ? 7.295 26.698 5.964 1.00 31.71 ? 118 VAL A C 1 ATOM 1920 O O . VAL A 1 118 ? 7.092 27.610 6.757 1.00 30.00 ? 118 VAL A O 1 ATOM 1921 C CB . VAL A 1 118 ? 8.045 24.453 6.872 1.00 29.90 ? 118 VAL A CB 1 ATOM 1922 C CG1 . VAL A 1 118 ? 9.180 23.436 6.939 1.00 30.30 ? 118 VAL A CG1 1 ATOM 1923 C CG2 . VAL A 1 118 ? 7.446 24.707 8.254 1.00 30.34 ? 118 VAL A CG2 1 ATOM 1924 H H . VAL A 1 118 ? 9.215 26.944 7.680 1.00 29.43 ? 118 VAL A H 1 ATOM 1925 H HA . VAL A 1 118 ? 8.821 25.498 5.156 1.00 27.99 ? 118 VAL A HA 1 ATOM 1926 H HB . VAL A 1 118 ? 7.258 24.013 6.265 1.00 29.51 ? 118 VAL A HB 1 ATOM 1927 H HG11 . VAL A 1 118 ? 9.582 23.292 5.937 1.00 29.91 ? 118 VAL A HG11 1 ATOM 1928 H HG12 . VAL A 1 118 ? 9.961 23.797 7.606 1.00 30.21 ? 118 VAL A HG12 1 ATOM 1929 H HG13 . VAL A 1 118 ? 8.786 22.495 7.320 1.00 30.08 ? 118 VAL A HG13 1 ATOM 1930 H HG21 . VAL A 1 118 ? 8.101 25.348 8.841 1.00 30.53 ? 118 VAL A HG21 1 ATOM 1931 H HG22 . VAL A 1 118 ? 6.470 25.177 8.145 1.00 31.03 ? 118 VAL A HG22 1 ATOM 1932 H HG23 . VAL A 1 118 ? 7.320 23.750 8.760 1.00 29.13 ? 118 VAL A HG23 1 ATOM 1933 N N . THR A 1 119 ? 6.444 26.397 4.991 1.00 26.81 ? 119 THR A N 1 ATOM 1934 C CA . THR A 1 119 ? 5.174 27.124 4.872 1.00 26.96 ? 119 THR A CA 1 ATOM 1935 C C . THR A 1 119 ? 4.098 26.428 5.716 1.00 32.02 ? 119 THR A C 1 ATOM 1936 O O . THR A 1 119 ? 4.357 25.394 6.353 1.00 29.31 ? 119 THR A O 1 ATOM 1937 C CB . THR A 1 119 ? 4.727 27.197 3.411 1.00 31.06 ? 119 THR A CB 1 ATOM 1938 O OG1 . THR A 1 119 ? 4.467 25.879 3.016 1.00 35.94 ? 119 THR A OG1 1 ATOM 1939 C CG2 . THR A 1 119 ? 5.756 27.845 2.504 1.00 27.84 ? 119 THR A CG2 1 ATOM 1940 H H . THR A 1 119 ? 6.610 25.690 4.282 1.00 25.53 ? 119 THR A H 1 ATOM 1941 H HA . THR A 1 119 ? 5.279 28.139 5.249 1.00 27.77 ? 119 THR A HA 1 ATOM 1942 H HB . THR A 1 119 ? 3.817 27.785 3.317 1.00 31.10 ? 119 THR A HB 1 ATOM 1943 H HG1 . THR A 1 119 ? 3.919 25.899 2.190 1.00 37.28 ? 119 THR A HG1 1 ATOM 1944 H HG21 . THR A 1 119 ? 6.725 27.358 2.597 1.00 27.60 ? 119 THR A HG21 1 ATOM 1945 H HG22 . THR A 1 119 ? 5.438 27.778 1.466 1.00 28.33 ? 119 THR A HG22 1 ATOM 1946 H HG23 . THR A 1 119 ? 5.860 28.895 2.772 1.00 28.15 ? 119 THR A HG23 1 ATOM 1947 N N . LEU A 1 120 ? 2.882 26.991 5.714 1.00 33.84 ? 120 LEU A N 1 ATOM 1948 C CA . LEU A 1 120 ? 1.739 26.429 6.466 1.00 35.46 ? 120 LEU A CA 1 ATOM 1949 C C . LEU A 1 120 ? 1.460 24.971 6.170 1.00 37.70 ? 120 LEU A C 1 ATOM 1950 O O . LEU A 1 120 ? 0.963 24.268 7.041 1.00 38.29 ? 120 LEU A O 1 ATOM 1951 C CB . LEU A 1 120 ? 0.447 27.219 6.208 1.00 36.47 ? 120 LEU A CB 1 ATOM 1952 C CG . LEU A 1 120 ? -0.636 27.051 7.286 1.00 43.17 ? 120 LEU A CG 1 ATOM 1953 C CD1 . LEU A 1 120 ? -0.223 27.742 8.599 1.00 42.46 ? 120 LEU A CD1 1 ATOM 1954 C CD2 . LEU A 1 120 ? -1.966 27.572 6.788 1.00 46.65 ? 120 LEU A CD2 1 ATOM 1955 H H . LEU A 1 120 ? 2.662 27.854 5.226 1.00 33.10 ? 120 LEU A H 1 ATOM 1956 H HA . LEU A 1 120 ? 1.994 26.486 7.523 1.00 35.71 ? 120 LEU A HA 1 ATOM 1957 H HB2 . LEU A 1 120 ? 0.677 28.283 6.158 1.00 35.74 ? 120 LEU A HB2 1 ATOM 1958 H HB3 . LEU A 1 120 ? 0.019 26.889 5.263 1.00 35.03 ? 120 LEU A HB3 1 ATOM 1959 H HG . LEU A 1 120 ? -0.787 25.997 7.511 1.00 43.37 ? 120 LEU A HG 1 ATOM 1960 H HD11 . LEU A 1 120 ? 0.064 28.771 8.387 1.00 41.78 ? 120 LEU A HD11 1 ATOM 1961 H HD12 . LEU A 1 120 ? -1.064 27.719 9.290 1.00 42.55 ? 120 LEU A HD12 1 ATOM 1962 H HD13 . LEU A 1 120 ? 0.610 27.203 9.047 1.00 42.00 ? 120 LEU A HD13 1 ATOM 1963 H HD21 . LEU A 1 120 ? -1.831 28.588 6.419 1.00 46.41 ? 120 LEU A HD21 1 ATOM 1964 H HD22 . LEU A 1 120 ? -2.309 26.923 5.983 1.00 46.44 ? 120 LEU A HD22 1 ATOM 1965 H HD23 . LEU A 1 120 ? -2.692 27.554 7.600 1.00 46.92 ? 120 LEU A HD23 1 ATOM 1966 N N . LYS A 1 121 ? 1.770 24.515 4.960 1.00 32.89 ? 121 LYS A N 1 ATOM 1967 C CA . LYS A 1 121 ? 1.566 23.141 4.542 1.00 33.03 ? 121 LYS A CA 1 ATOM 1968 C C . LYS A 1 121 ? 2.224 22.120 5.489 1.00 38.20 ? 121 LYS A C 1 ATOM 1969 O O . LYS A 1 121 ? 1.683 21.029 5.664 1.00 37.27 ? 121 LYS A O 1 ATOM 1970 C CB . LYS A 1 121 ? 2.106 22.982 3.119 1.00 35.37 ? 121 LYS A CB 1 ATOM 1971 C CG . LYS A 1 121 ? 1.923 21.625 2.505 1.00 42.11 ? 121 LYS A CG 1 ATOM 1972 C CD . LYS A 1 121 ? 2.521 21.621 1.137 1.00 44.54 ? 121 LYS A CD 1 ATOM 1973 C CE . LYS A 1 121 ? 2.291 20.301 0.446 1.00 51.95 ? 121 LYS A CE 1 ATOM 1974 N NZ . LYS A 1 121 ? 2.642 20.358 -0.988 1.00 61.73 ? 121 LYS A NZ 1 ATOM 1975 H H . LYS A 1 121 ? 2.138 25.098 4.215 1.00 32.97 ? 121 LYS A H 1 ATOM 1976 H HA . LYS A 1 121 ? 0.498 22.935 4.504 1.00 33.17 ? 121 LYS A HA 1 ATOM 1977 H HB2 . LYS A 1 121 ? 1.539 23.669 2.497 1.00 35.92 ? 121 LYS A HB2 1 ATOM 1978 H HB3 . LYS A 1 121 ? 3.164 23.242 3.090 1.00 34.17 ? 121 LYS A HB3 1 ATOM 1979 H HG2 . LYS A 1 121 ? 2.429 20.860 3.090 1.00 42.41 ? 121 LYS A HG2 1 ATOM 1980 H HG3 . LYS A 1 121 ? 0.860 21.405 2.426 1.00 42.29 ? 121 LYS A HG3 1 ATOM 1981 H HD2 . LYS A 1 121 ? 2.065 22.411 0.543 1.00 44.22 ? 121 LYS A HD2 1 ATOM 1982 H HD3 . LYS A 1 121 ? 3.594 21.782 1.223 1.00 43.97 ? 121 LYS A HD3 1 ATOM 1983 H HE2 . LYS A 1 121 ? 2.912 19.538 0.913 1.00 52.26 ? 121 LYS A HE2 1 ATOM 1984 H HE3 . LYS A 1 121 ? 1.239 20.031 0.529 1.00 51.95 ? 121 LYS A HE3 1 ATOM 1985 H HZ1 . LYS A 1 121 ? 3.619 20.610 -1.096 1.00 61.47 ? 121 LYS A HZ1 1 ATOM 1986 H HZ2 . LYS A 1 121 ? 2.485 19.452 -1.417 1.00 62.06 ? 121 LYS A HZ2 1 ATOM 1987 H HZ3 . LYS A 1 121 ? 2.067 21.050 -1.459 1.00 61.69 ? 121 LYS A HZ3 1 ATOM 1988 N N . TYR A 1 122 ? 3.396 22.449 6.069 1.00 34.84 ? 122 TYR A N 1 ATOM 1989 C CA . TYR A 1 122 ? 4.113 21.512 6.913 1.00 34.37 ? 122 TYR A CA 1 ATOM 1990 C C . TYR A 1 122 ? 4.244 21.893 8.376 1.00 39.83 ? 122 TYR A C 1 ATOM 1991 O O . TYR A 1 122 ? 5.005 21.224 9.063 1.00 39.83 ? 122 TYR A O 1 ATOM 1992 C CB . TYR A 1 122 ? 5.519 21.315 6.319 1.00 35.77 ? 122 TYR A CB 1 ATOM 1993 C CG . TYR A 1 122 ? 5.571 20.879 4.871 1.00 39.22 ? 122 TYR A CG 1 ATOM 1994 C CD1 . TYR A 1 122 ? 4.778 19.826 4.410 1.00 42.13 ? 122 TYR A CD1 1 ATOM 1995 C CD2 . TYR A 1 122 ? 6.578 21.336 4.028 1.00 40.66 ? 122 TYR A CD2 1 ATOM 1996 C CE1 . TYR A 1 122 ? 4.886 19.353 3.101 1.00 42.45 ? 122 TYR A CE1 1 ATOM 1997 C CE2 . TYR A 1 122 ? 6.733 20.830 2.736 1.00 41.91 ? 122 TYR A CE2 1 ATOM 1998 C CZ . TYR A 1 122 ? 5.865 19.860 2.266 1.00 51.82 ? 122 TYR A CZ 1 ATOM 1999 O OH . TYR A 1 122 ? 5.976 19.384 0.975 1.00 59.48 ? 122 TYR A OH 1 ATOM 2000 H H . TYR A 1 122 ? 3.874 23.337 5.959 1.00 34.62 ? 122 TYR A H 1 ATOM 2001 H HA . TYR A 1 122 ? 3.621 20.541 6.914 1.00 34.74 ? 122 TYR A HA 1 ATOM 2002 H HB2 . TYR A 1 122 ? 6.055 22.257 6.392 1.00 36.03 ? 122 TYR A HB2 1 ATOM 2003 H HB3 . TYR A 1 122 ? 6.043 20.553 6.894 1.00 35.90 ? 122 TYR A HB3 1 ATOM 2004 H HD1 . TYR A 1 122 ? 3.996 19.410 5.043 1.00 41.78 ? 122 TYR A HD1 1 ATOM 2005 H HD2 . TYR A 1 122 ? 7.274 22.094 4.387 1.00 40.01 ? 122 TYR A HD2 1 ATOM 2006 H HE1 . TYR A 1 122 ? 4.205 18.583 2.743 1.00 41.54 ? 122 TYR A HE1 1 ATOM 2007 H HE2 . TYR A 1 122 ? 7.492 21.251 2.080 1.00 42.31 ? 122 TYR A HE2 1 ATOM 2008 H HH . TYR A 1 122 ? 6.776 19.753 0.514 1.00 59.14 ? 122 TYR A HH 1 ATOM 2009 N N . VAL A 1 123 ? 3.553 22.929 8.882 1.00 39.41 ? 123 VAL A N 1 ATOM 2010 C CA . VAL A 1 123 ? 3.772 23.367 10.277 1.00 41.61 ? 123 VAL A CA 1 ATOM 2011 C C . VAL A 1 123 ? 3.447 22.291 11.335 1.00 52.24 ? 123 VAL A C 1 ATOM 2012 O O . VAL A 1 123 ? 4.141 22.205 12.355 1.00 53.14 ? 123 VAL A O 1 ATOM 2013 C CB . VAL A 1 123 ? 3.095 24.717 10.655 1.00 43.96 ? 123 VAL A CB 1 ATOM 2014 C CG1 . VAL A 1 123 ? 3.731 25.877 9.909 1.00 42.93 ? 123 VAL A CG1 1 ATOM 2015 C CG2 . VAL A 1 123 ? 1.584 24.697 10.481 1.00 43.38 ? 123 VAL A CG2 1 ATOM 2016 H H . VAL A 1 123 ? 2.875 23.477 8.364 1.00 38.82 ? 123 VAL A H 1 ATOM 2017 H HA . VAL A 1 123 ? 4.840 23.555 10.377 1.00 42.13 ? 123 VAL A HA 1 ATOM 2018 H HB . VAL A 1 123 ? 3.253 24.886 11.717 1.00 43.47 ? 123 VAL A HB 1 ATOM 2019 H HG11 . VAL A 1 123 ? 3.807 25.622 8.854 1.00 43.71 ? 123 VAL A HG11 1 ATOM 2020 H HG12 . VAL A 1 123 ? 3.114 26.767 10.026 1.00 42.83 ? 123 VAL A HG12 1 ATOM 2021 H HG13 . VAL A 1 123 ? 4.722 26.065 10.317 1.00 42.37 ? 123 VAL A HG13 1 ATOM 2022 H HG21 . VAL A 1 123 ? 1.157 23.891 11.075 1.00 43.33 ? 123 VAL A HG21 1 ATOM 2023 H HG22 . VAL A 1 123 ? 1.187 25.649 10.830 1.00 43.27 ? 123 VAL A HG22 1 ATOM 2024 H HG23 . VAL A 1 123 ? 1.336 24.569 9.431 1.00 43.06 ? 123 VAL A HG23 1 ATOM 2025 N N . ASP A 1 124 ? 2.423 21.490 11.114 1.00 51.47 ? 124 ASP A N 1 ATOM 2026 C CA . ASP A 1 124 ? 2.065 20.449 12.100 1.00 53.90 ? 124 ASP A CA 1 ATOM 2027 C C . ASP A 1 124 ? 2.725 19.089 11.787 1.00 58.32 ? 124 ASP A C 1 ATOM 2028 O O . ASP A 1 124 ? 2.526 18.145 12.541 1.00 59.73 ? 124 ASP A O 1 ATOM 2029 C CB . ASP A 1 124 ? 0.528 20.291 12.178 1.00 57.34 ? 124 ASP A CB 1 ATOM 2030 C CG . ASP A 1 124 ? -0.149 19.969 10.846 1.00 81.38 ? 124 ASP A CG 1 ATOM 2031 O OD1 . ASP A 1 124 ? 0.471 20.228 9.782 1.00 83.16 ? 124 ASP A OD1 1 ATOM 2032 O OD2 . ASP A 1 124 ? -1.294 19.449 10.866 1.00 92.87 ? 124 ASP A OD2 1 ATOM 2033 H H . ASP A 1 124 ? 1.843 21.527 10.283 1.00 50.05 ? 124 ASP A H 1 ATOM 2034 H HA . ASP A 1 124 ? 2.390 20.741 13.098 1.00 53.12 ? 124 ASP A HA 1 ATOM 2035 H HB2 . ASP A 1 124 ? 0.295 19.493 12.882 1.00 56.91 ? 124 ASP A HB2 1 ATOM 2036 H HB3 . ASP A 1 124 ? 0.108 21.228 12.539 1.00 57.29 ? 124 ASP A HB3 1 ATOM 2037 N N . ARG A 1 125 ? 3.414 18.956 10.643 1.00 52.44 ? 125 ARG A N 1 ATOM 2038 C CA . ARG A 1 125 ? 4.028 17.696 10.254 1.00 51.99 ? 125 ARG A CA 1 ATOM 2039 C C . ARG A 1 125 ? 5.082 17.904 9.199 1.00 49.29 ? 125 ARG A C 1 ATOM 2040 O O . ARG A 1 125 ? 4.782 18.009 8.010 1.00 46.28 ? 125 ARG A O 1 ATOM 2041 C CB . ARG A 1 125 ? 2.997 16.629 9.789 1.00 57.00 ? 125 ARG A CB 1 ATOM 2042 C CG . ARG A 1 125 ? 1.652 17.126 9.234 1.00 77.47 ? 125 ARG A CG 1 ATOM 2043 C CD . ARG A 1 125 ? 1.695 17.960 7.956 1.00 83.22 ? 125 ARG A CD 1 ATOM 2044 N NE . ARG A 1 125 ? 0.324 18.302 7.542 1.00 98.74 ? 125 ARG A NE 1 ATOM 2045 C CZ . ARG A 1 125 ? -0.094 18.533 6.293 1.00 121.72 ? 125 ARG A CZ 1 ATOM 2046 N NH1 . ARG A 1 125 ? 0.759 18.475 5.270 1.00 110.54 ? 125 ARG A NH1 1 ATOM 2047 N NH2 . ARG A 1 125 ? -1.367 18.833 6.058 1.00 111.80 ? 125 ARG A NH2 1 ATOM 2048 H H . ARG A 1 125 ? 3.553 19.692 9.960 1.00 52.38 ? 125 ARG A H 1 ATOM 2049 H HA . ARG A 1 125 ? 4.515 17.277 11.133 1.00 52.27 ? 125 ARG A HA 1 ATOM 2050 H HB2 . ARG A 1 125 ? 3.447 15.993 9.027 1.00 56.89 ? 125 ARG A HB2 1 ATOM 2051 H HB3 . ARG A 1 125 ? 2.762 16.015 10.657 1.00 57.25 ? 125 ARG A HB3 1 ATOM 2052 H HG2 . ARG A 1 125 ? 1.059 16.244 8.996 1.00 77.88 ? 125 ARG A HG2 1 ATOM 2053 H HG3 . ARG A 1 125 ? 1.129 17.687 10.004 1.00 77.78 ? 125 ARG A HG3 1 ATOM 2054 H HD2 . ARG A 1 125 ? 2.241 18.884 8.139 1.00 82.68 ? 125 ARG A HD2 1 ATOM 2055 H HD3 . ARG A 1 125 ? 2.190 17.361 7.194 1.00 83.11 ? 125 ARG A HD3 1 ATOM 2056 H HE . ARG A 1 125 ? -0.371 18.357 8.279 1.00 98.58 ? 125 ARG A HE 1 ATOM 2057 H HH11 . ARG A 1 125 ? 1.745 18.269 5.385 1.00 110.71 ? 125 ARG A HH11 1 ATOM 2058 H HH12 . ARG A 1 125 ? 0.420 18.665 4.332 1.00 110.32 ? 125 ARG A HH12 1 ATOM 2059 H HH21 . ARG A 1 125 ? -2.032 18.879 6.824 1.00 111.76 ? 125 ARG A HH21 1 ATOM 2060 H HH22 . ARG A 1 125 ? -1.684 19.013 5.112 1.00 111.86 ? 125 ARG A HH22 1 ATOM 2061 N N . ILE A 1 126 ? 6.328 17.906 9.642 1.00 45.27 ? 126 ILE A N 1 ATOM 2062 C CA . ILE A 1 126 ? 7.478 18.062 8.759 1.00 43.97 ? 126 ILE A CA 1 ATOM 2063 C C . ILE A 1 126 ? 7.613 16.754 7.982 1.00 44.05 ? 126 ILE A C 1 ATOM 2064 O O . ILE A 1 126 ? 7.662 15.715 8.613 1.00 42.32 ? 126 ILE A O 1 ATOM 2065 C CB . ILE A 1 126 ? 8.775 18.356 9.589 1.00 46.57 ? 126 ILE A CB 1 ATOM 2066 C CG1 . ILE A 1 126 ? 8.622 19.627 10.512 1.00 46.97 ? 126 ILE A CG1 1 ATOM 2067 C CG2 . ILE A 1 126 ? 9.995 18.499 8.670 1.00 45.59 ? 126 ILE A CG2 1 ATOM 2068 C CD1 . ILE A 1 126 ? 8.488 20.934 9.811 1.00 48.28 ? 126 ILE A CD1 1 ATOM 2069 H H . ILE A 1 126 ? 6.574 17.754 10.615 1.00 45.53 ? 126 ILE A H 1 ATOM 2070 H HA . ILE A 1 126 ? 7.306 18.901 8.087 1.00 44.62 ? 126 ILE A HA 1 ATOM 2071 H HB . ILE A 1 126 ? 8.950 17.497 10.235 1.00 46.22 ? 126 ILE A HB 1 ATOM 2072 H HG12 . ILE A 1 126 ? 7.757 19.527 11.164 1.00 46.29 ? 126 ILE A HG12 1 ATOM 2073 H HG13 . ILE A 1 126 ? 9.518 19.703 11.126 1.00 47.13 ? 126 ILE A HG13 1 ATOM 2074 H HG21 . ILE A 1 126 ? 9.762 19.204 7.873 1.00 45.14 ? 126 ILE A HG21 1 ATOM 2075 H HG22 . ILE A 1 126 ? 10.833 18.863 9.263 1.00 45.20 ? 126 ILE A HG22 1 ATOM 2076 H HG23 . ILE A 1 126 ? 10.253 17.533 8.243 1.00 45.58 ? 126 ILE A HG23 1 ATOM 2077 H HD11 . ILE A 1 126 ? 7.695 20.877 9.068 1.00 47.82 ? 126 ILE A HD11 1 ATOM 2078 H HD12 . ILE A 1 126 ? 8.244 21.695 10.550 1.00 47.65 ? 126 ILE A HD12 1 ATOM 2079 H HD13 . ILE A 1 126 ? 9.434 21.180 9.330 1.00 48.04 ? 126 ILE A HD13 1 ATOM 2080 N N . PRO A 1 127 ? 7.708 16.781 6.649 1.00 41.23 ? 127 PRO A N 1 ATOM 2081 C CA . PRO A 1 127 ? 7.933 15.524 5.899 1.00 41.30 ? 127 PRO A CA 1 ATOM 2082 C C . PRO A 1 127 ? 9.250 14.832 6.368 1.00 45.30 ? 127 PRO A C 1 ATOM 2083 O O . PRO A 1 127 ? 10.199 15.529 6.737 1.00 44.15 ? 127 PRO A O 1 ATOM 2084 C CB . PRO A 1 127 ? 8.035 15.994 4.449 1.00 42.47 ? 127 PRO A CB 1 ATOM 2085 C CG . PRO A 1 127 ? 7.316 17.282 4.414 1.00 46.06 ? 127 PRO A CG 1 ATOM 2086 C CD . PRO A 1 127 ? 7.541 17.928 5.736 1.00 41.86 ? 127 PRO A CD 1 ATOM 2087 H HA . PRO A 1 127 ? 7.092 14.843 6.014 1.00 41.46 ? 127 PRO A HA 1 ATOM 2088 H HB2 . PRO A 1 127 ? 9.079 16.130 4.170 1.00 42.73 ? 127 PRO A HB2 1 ATOM 2089 H HB3 . PRO A 1 127 ? 7.556 15.262 3.800 1.00 42.85 ? 127 PRO A HB3 1 ATOM 2090 H HG2 . PRO A 1 127 ? 7.680 17.900 3.595 1.00 45.17 ? 127 PRO A HG2 1 ATOM 2091 H HG3 . PRO A 1 127 ? 6.253 17.088 4.283 1.00 46.40 ? 127 PRO A HG3 1 ATOM 2092 H HD2 . PRO A 1 127 ? 8.425 18.562 5.741 1.00 41.86 ? 127 PRO A HD2 1 ATOM 2093 H HD3 . PRO A 1 127 ? 6.653 18.493 6.012 1.00 42.23 ? 127 PRO A HD3 1 ATOM 2094 N N . GLU A 1 128 ? 9.292 13.482 6.374 1.00 42.31 ? 128 GLU A N 1 ATOM 2095 C CA . GLU A 1 128 ? 10.462 12.701 6.825 1.00 42.08 ? 128 GLU A CA 1 ATOM 2096 C C . GLU A 1 128 ? 11.745 13.040 6.070 1.00 40.07 ? 128 GLU A C 1 ATOM 2097 O O . GLU A 1 128 ? 12.819 13.071 6.668 1.00 39.00 ? 128 GLU A O 1 ATOM 2098 C CB . GLU A 1 128 ? 10.225 11.176 6.702 1.00 44.69 ? 128 GLU A CB 1 ATOM 2099 C CG . GLU A 1 128 ? 9.471 10.566 7.873 1.00 64.58 ? 128 GLU A CG 1 ATOM 2100 C CD . GLU A 1 128 ? 9.250 9.064 7.789 1.00 99.74 ? 128 GLU A CD 1 ATOM 2101 O OE1 . GLU A 1 128 ? 9.735 8.436 6.816 1.00 95.29 ? 128 GLU A OE1 1 ATOM 2102 O OE2 . GLU A 1 128 ? 8.591 8.513 8.703 1.00 96.17 ? 128 GLU A OE2 1 ATOM 2103 H H . GLU A 1 128 ? 8.512 12.910 6.070 1.00 43.62 ? 128 GLU A H 1 ATOM 2104 H HA . GLU A 1 128 ? 10.627 12.922 7.878 1.00 42.06 ? 128 GLU A HA 1 ATOM 2105 H HB2 . GLU A 1 128 ? 9.681 10.966 5.782 1.00 44.17 ? 128 GLU A HB2 1 ATOM 2106 H HB3 . GLU A 1 128 ? 11.193 10.676 6.670 1.00 44.43 ? 128 GLU A HB3 1 ATOM 2107 H HG2 . GLU A 1 128 ? 10.038 10.761 8.783 1.00 64.66 ? 128 GLU A HG2 1 ATOM 2108 H HG3 . GLU A 1 128 ? 8.493 11.042 7.942 1.00 64.53 ? 128 GLU A HG3 1 ATOM 2109 N N . THR A 1 129 ? 11.631 13.279 4.772 1.00 35.49 ? 129 THR A N 1 ATOM 2110 C CA . THR A 1 129 ? 12.788 13.595 3.938 1.00 36.08 ? 129 THR A CA 1 ATOM 2111 C C . THR A 1 129 ? 13.464 14.927 4.323 1.00 38.58 ? 129 THR A C 1 ATOM 2112 O O . THR A 1 129 ? 14.678 15.013 4.293 1.00 37.40 ? 129 THR A O 1 ATOM 2113 C CB . THR A 1 129 ? 12.362 13.656 2.480 1.00 50.37 ? 129 THR A CB 1 ATOM 2114 O OG1 . THR A 1 129 ? 11.253 14.567 2.390 1.00 54.73 ? 129 THR A OG1 1 ATOM 2115 C CG2 . THR A 1 129 ? 11.982 12.291 1.925 1.00 51.95 ? 129 THR A CG2 1 ATOM 2116 H H . THR A 1 129 ? 10.748 13.270 4.273 1.00 34.61 ? 129 THR A H 1 ATOM 2117 H HA . THR A 1 129 ? 13.518 12.797 4.058 1.00 36.33 ? 129 THR A HA 1 ATOM 2118 H HB . THR A 1 129 ? 13.194 14.030 1.884 1.00 49.54 ? 129 THR A HB 1 ATOM 2119 H HG1 . THR A 1 129 ? 11.203 14.952 1.476 1.00 54.94 ? 129 THR A HG1 1 ATOM 2120 H HG21 . THR A 1 129 ? 11.330 11.753 2.611 1.00 51.73 ? 129 THR A HG21 1 ATOM 2121 H HG22 . THR A 1 129 ? 11.463 12.419 0.976 1.00 52.41 ? 129 THR A HG22 1 ATOM 2122 H HG23 . THR A 1 129 ? 12.881 11.700 1.755 1.00 52.24 ? 129 THR A HG23 1 ATOM 2123 N N . ILE A 1 130 ? 12.668 15.963 4.636 1.00 36.17 ? 130 ILE A N 1 ATOM 2124 C CA . ILE A 1 130 ? 13.174 17.290 5.022 1.00 35.75 ? 130 ILE A CA 1 ATOM 2125 C C . ILE A 1 130 ? 13.762 17.179 6.388 1.00 32.84 ? 130 ILE A C 1 ATOM 2126 O O . ILE A 1 130 ? 14.804 17.753 6.653 1.00 30.23 ? 130 ILE A O 1 ATOM 2127 C CB . ILE A 1 130 ? 12.037 18.354 4.989 1.00 40.23 ? 130 ILE A CB 1 ATOM 2128 C CG1 . ILE A 1 130 ? 11.613 18.563 3.559 1.00 41.80 ? 130 ILE A CG1 1 ATOM 2129 C CG2 . ILE A 1 130 ? 12.474 19.707 5.607 1.00 42.11 ? 130 ILE A CG2 1 ATOM 2130 C CD1 . ILE A 1 130 ? 10.273 19.170 3.420 1.00 53.55 ? 130 ILE A CD1 1 ATOM 2131 H H . ILE A 1 130 ? 11.654 15.902 4.639 1.00 35.94 ? 130 ILE A H 1 ATOM 2132 H HA . ILE A 1 130 ? 13.955 17.606 4.332 1.00 35.63 ? 130 ILE A HA 1 ATOM 2133 H HB . ILE A 1 130 ? 11.194 17.980 5.566 1.00 40.21 ? 130 ILE A HB 1 ATOM 2134 H HG12 . ILE A 1 130 ? 12.343 19.224 3.095 1.00 42.51 ? 130 ILE A HG12 1 ATOM 2135 H HG13 . ILE A 1 130 ? 11.602 17.612 3.027 1.00 41.79 ? 130 ILE A HG13 1 ATOM 2136 H HG21 . ILE A 1 130 ? 13.415 20.013 5.151 1.00 41.90 ? 130 ILE A HG21 1 ATOM 2137 H HG22 . ILE A 1 130 ? 11.714 20.461 5.414 1.00 42.81 ? 130 ILE A HG22 1 ATOM 2138 H HG23 . ILE A 1 130 ? 12.585 19.614 6.687 1.00 41.56 ? 130 ILE A HG23 1 ATOM 2139 H HD11 . ILE A 1 130 ? 9.588 18.562 4.001 1.00 52.92 ? 130 ILE A HD11 1 ATOM 2140 H HD12 . ILE A 1 130 ? 10.271 20.192 3.796 1.00 53.91 ? 130 ILE A HD12 1 ATOM 2141 H HD13 . ILE A 1 130 ? 9.990 19.165 2.368 1.00 53.50 ? 130 ILE A HD13 1 ATOM 2142 N N . ASN A 1 131 ? 13.076 16.464 7.261 1.00 29.94 ? 131 ASN A N 1 ATOM 2143 C CA . ASN A 1 131 ? 13.524 16.245 8.638 1.00 31.03 ? 131 ASN A CA 1 ATOM 2144 C C . ASN A 1 131 ? 14.872 15.518 8.650 1.00 33.01 ? 131 ASN A C 1 ATOM 2145 O O . ASN A 1 131 ? 15.784 15.911 9.370 1.00 32.18 ? 131 ASN A O 1 ATOM 2146 C CB . ASN A 1 131 ? 12.454 15.428 9.412 1.00 31.03 ? 131 ASN A CB 1 ATOM 2147 C CG . ASN A 1 131 ? 12.802 15.301 10.847 1.00 39.18 ? 131 ASN A CG 1 ATOM 2148 O OD1 . ASN A 1 131 ? 13.040 16.314 11.511 1.00 37.74 ? 131 ASN A OD1 1 ATOM 2149 N ND2 . ASN A 1 131 ? 12.911 14.078 11.347 1.00 40.93 ? 131 ASN A ND2 1 ATOM 2150 H H . ASN A 1 131 ? 12.183 16.026 7.060 1.00 29.22 ? 131 ASN A H 1 ATOM 2151 H HA . ASN A 1 131 ? 13.656 17.211 9.123 1.00 30.82 ? 131 ASN A HA 1 ATOM 2152 H HB2 . ASN A 1 131 ? 11.501 15.951 9.360 1.00 31.33 ? 131 ASN A HB2 1 ATOM 2153 H HB3 . ASN A 1 131 ? 12.349 14.443 8.961 1.00 31.13 ? 131 ASN A HB3 1 ATOM 2154 H HD21 . ASN A 1 131 ? 12.994 13.267 10.742 1.00 41.02 ? 131 ASN A HD21 1 ATOM 2155 N N . ARG A 1 132 ? 14.998 14.479 7.819 1.00 30.68 ? 132 ARG A N 1 ATOM 2156 C CA . ARG A 1 132 ? 16.241 13.738 7.669 1.00 30.68 ? 132 ARG A CA 1 ATOM 2157 C C . ARG A 1 132 ? 17.373 14.655 7.161 1.00 34.27 ? 132 ARG A C 1 ATOM 2158 O O . ARG A 1 132 ? 18.444 14.687 7.763 1.00 34.86 ? 132 ARG A O 1 ATOM 2159 C CB . ARG A 1 132 ? 16.027 12.500 6.757 1.00 31.90 ? 132 ARG A CB 1 ATOM 2160 C CG . ARG A 1 132 ? 17.305 11.718 6.511 1.00 32.74 ? 132 ARG A CG 1 ATOM 2161 C CD . ARG A 1 132 ? 17.026 10.448 5.754 1.00 34.57 ? 132 ARG A CD 1 ATOM 2162 N NE . ARG A 1 132 ? 18.250 9.697 5.511 1.00 41.13 ? 132 ARG A NE 1 ATOM 2163 C CZ . ARG A 1 132 ? 18.928 8.998 6.425 1.00 50.37 ? 132 ARG A CZ 1 ATOM 2164 N NH1 . ARG A 1 132 ? 18.501 8.933 7.682 1.00 38.96 ? 132 ARG A NH1 1 ATOM 2165 N NH2 . ARG A 1 132 ? 20.036 8.359 6.086 1.00 39.79 ? 132 ARG A NH2 1 ATOM 2166 H H . ARG A 1 132 ? 14.238 14.110 7.257 1.00 31.25 ? 132 ARG A H 1 ATOM 2167 H HA . ARG A 1 132 ? 16.542 13.383 8.654 1.00 30.35 ? 132 ARG A HA 1 ATOM 2168 H HB2 . ARG A 1 132 ? 15.322 11.824 7.240 1.00 31.42 ? 132 ARG A HB2 1 ATOM 2169 H HB3 . ARG A 1 132 ? 15.626 12.824 5.797 1.00 31.68 ? 132 ARG A HB3 1 ATOM 2170 H HG2 . ARG A 1 132 ? 17.989 12.310 5.905 1.00 32.53 ? 132 ARG A HG2 1 ATOM 2171 H HG3 . ARG A 1 132 ? 17.771 11.492 7.468 1.00 31.98 ? 132 ARG A HG3 1 ATOM 2172 H HD2 . ARG A 1 132 ? 16.323 9.827 6.307 1.00 35.50 ? 132 ARG A HD2 1 ATOM 2173 H HD3 . ARG A 1 132 ? 16.609 10.706 4.782 1.00 33.88 ? 132 ARG A HD3 1 ATOM 2174 H HE . ARG A 1 132 ? 18.604 9.710 4.560 1.00 41.19 ? 132 ARG A HE 1 ATOM 2175 H HH11 . ARG A 1 132 ? 17.654 9.388 8.005 1.00 39.70 ? 132 ARG A HH11 1 ATOM 2176 H HH12 . ARG A 1 132 ? 19.029 8.395 8.359 1.00 39.17 ? 132 ARG A HH12 1 ATOM 2177 H HH21 . ARG A 1 132 ? 20.366 8.375 5.128 1.00 40.85 ? 132 ARG A HH21 1 ATOM 2178 H HH22 . ARG A 1 132 ? 20.545 7.808 6.767 1.00 40.60 ? 132 ARG A HH22 1 ATOM 2179 N N . THR A 1 133 ? 17.119 15.465 6.148 1.00 30.39 ? 133 THR A N 1 ATOM 2180 C CA . THR A 1 133 ? 18.118 16.427 5.653 1.00 29.40 ? 133 THR A CA 1 ATOM 2181 C C . THR A 1 133 ? 18.541 17.409 6.713 1.00 31.51 ? 133 THR A C 1 ATOM 2182 O O . THR A 1 133 ? 19.725 17.704 6.854 1.00 30.58 ? 133 THR A O 1 ATOM 2183 C CB . THR A 1 133 ? 17.555 17.195 4.443 1.00 35.38 ? 133 THR A CB 1 ATOM 2184 O OG1 . THR A 1 133 ? 17.169 16.252 3.460 1.00 40.77 ? 133 THR A OG1 1 ATOM 2185 C CG2 . THR A 1 133 ? 18.550 18.159 3.840 1.00 32.83 ? 133 THR A CG2 1 ATOM 2186 H H . THR A 1 133 ? 16.244 15.467 5.635 1.00 30.82 ? 133 THR A H 1 ATOM 2187 H HA . THR A 1 133 ? 19.011 15.883 5.348 1.00 30.18 ? 133 THR A HA 1 ATOM 2188 H HB . THR A 1 133 ? 16.681 17.766 4.753 1.00 35.02 ? 133 THR A HB 1 ATOM 2189 H HG1 . THR A 1 133 ? 16.215 16.385 3.216 1.00 40.95 ? 133 THR A HG1 1 ATOM 2190 H HG21 . THR A 1 133 ? 19.526 17.687 3.744 1.00 32.50 ? 133 THR A HG21 1 ATOM 2191 H HG22 . THR A 1 133 ? 18.209 18.469 2.853 1.00 33.55 ? 133 THR A HG22 1 ATOM 2192 H HG23 . THR A 1 133 ? 18.637 19.045 4.466 1.00 32.13 ? 133 THR A HG23 1 ATOM 2193 N N . PHE A 1 134 ? 17.578 17.952 7.429 1.00 29.00 ? 134 PHE A N 1 ATOM 2194 C CA . PHE A 1 134 ? 17.868 18.900 8.506 1.00 30.38 ? 134 PHE A CA 1 ATOM 2195 C C . PHE A 1 134 ? 18.781 18.267 9.573 1.00 33.68 ? 134 PHE A C 1 ATOM 2196 O O . PHE A 1 134 ? 19.797 18.861 9.937 1.00 31.28 ? 134 PHE A O 1 ATOM 2197 C CB . PHE A 1 134 ? 16.545 19.440 9.100 1.00 32.12 ? 134 PHE A CB 1 ATOM 2198 C CG . PHE A 1 134 ? 16.682 20.162 10.405 1.00 33.59 ? 134 PHE A CG 1 ATOM 2199 C CD1 . PHE A 1 134 ? 17.304 21.401 10.469 1.00 35.85 ? 134 PHE A CD1 1 ATOM 2200 C CD2 . PHE A 1 134 ? 16.134 19.639 11.565 1.00 35.92 ? 134 PHE A CD2 1 ATOM 2201 C CE1 . PHE A 1 134 ? 17.406 22.075 11.674 1.00 36.53 ? 134 PHE A CE1 1 ATOM 2202 C CE2 . PHE A 1 134 ? 16.267 20.309 12.777 1.00 38.54 ? 134 PHE A CE2 1 ATOM 2203 C CZ . PHE A 1 134 ? 16.940 21.497 12.828 1.00 36.33 ? 134 PHE A CZ 1 ATOM 2204 H H . PHE A 1 134 ? 16.592 17.767 7.280 1.00 28.53 ? 134 PHE A H 1 ATOM 2205 H HA . PHE A 1 134 ? 18.413 19.745 8.088 1.00 31.73 ? 134 PHE A HA 1 ATOM 2206 H HB2 . PHE A 1 134 ? 16.111 20.140 8.387 1.00 31.52 ? 134 PHE A HB2 1 ATOM 2207 H HB3 . PHE A 1 134 ? 15.858 18.610 9.258 1.00 32.09 ? 134 PHE A HB3 1 ATOM 2208 H HD1 . PHE A 1 134 ? 17.698 21.856 9.563 1.00 35.26 ? 134 PHE A HD1 1 ATOM 2209 H HD2 . PHE A 1 134 ? 15.645 18.666 11.544 1.00 35.19 ? 134 PHE A HD2 1 ATOM 2210 H HE1 . PHE A 1 134 ? 17.890 23.047 11.724 1.00 35.85 ? 134 PHE A HE1 1 ATOM 2211 H HE2 . PHE A 1 134 ? 15.860 19.876 13.689 1.00 38.31 ? 134 PHE A HE2 1 ATOM 2212 H HZ . PHE A 1 134 ? 17.000 22.046 13.766 1.00 36.97 ? 134 PHE A HZ 1 ATOM 2213 N N . TYR A 1 135 ? 18.444 17.062 10.034 1.00 31.97 ? 135 TYR A N 1 ATOM 2214 C CA . TYR A 1 135 ? 19.256 16.372 11.043 1.00 33.79 ? 135 TYR A CA 1 ATOM 2215 C C . TYR A 1 135 ? 20.630 15.912 10.517 1.00 40.16 ? 135 TYR A C 1 ATOM 2216 O O . TYR A 1 135 ? 21.570 15.805 11.287 1.00 42.08 ? 135 TYR A O 1 ATOM 2217 C CB . TYR A 1 135 ? 18.491 15.210 11.690 1.00 34.66 ? 135 TYR A CB 1 ATOM 2218 C CG . TYR A 1 135 ? 17.646 15.658 12.849 1.00 36.14 ? 135 TYR A CG 1 ATOM 2219 C CD1 . TYR A 1 135 ? 16.361 16.129 12.653 1.00 37.06 ? 135 TYR A CD1 1 ATOM 2220 C CD2 . TYR A 1 135 ? 18.165 15.701 14.137 1.00 38.89 ? 135 TYR A CD2 1 ATOM 2221 C CE1 . TYR A 1 135 ? 15.593 16.600 13.707 1.00 38.34 ? 135 TYR A CE1 1 ATOM 2222 C CE2 . TYR A 1 135 ? 17.392 16.128 15.214 1.00 38.93 ? 135 TYR A CE2 1 ATOM 2223 C CZ . TYR A 1 135 ? 16.110 16.601 14.990 1.00 43.59 ? 135 TYR A CZ 1 ATOM 2224 O OH . TYR A 1 135 ? 15.339 17.053 16.029 1.00 48.84 ? 135 TYR A OH 1 ATOM 2225 H H . TYR A 1 135 ? 17.617 16.555 9.734 1.00 31.35 ? 135 TYR A H 1 ATOM 2226 H HA . TYR A 1 135 ? 19.460 17.092 11.834 1.00 34.54 ? 135 TYR A HA 1 ATOM 2227 H HB2 . TYR A 1 135 ? 17.832 14.737 10.962 1.00 35.20 ? 135 TYR A HB2 1 ATOM 2228 H HB3 . TYR A 1 135 ? 19.208 14.487 12.074 1.00 35.34 ? 135 TYR A HB3 1 ATOM 2229 H HD1 . TYR A 1 135 ? 15.935 16.133 11.653 1.00 37.18 ? 135 TYR A HD1 1 ATOM 2230 H HD2 . TYR A 1 135 ? 19.180 15.347 14.314 1.00 38.96 ? 135 TYR A HD2 1 ATOM 2231 H HE1 . TYR A 1 135 ? 14.575 16.935 13.520 1.00 38.80 ? 135 TYR A HE1 1 ATOM 2232 H HE2 . TYR A 1 135 ? 17.822 16.139 16.214 1.00 38.13 ? 135 TYR A HE2 1 ATOM 2233 H HH . TYR A 1 135 ? 14.379 17.087 15.780 1.00 48.42 ? 135 TYR A HH 1 ATOM 2234 N N . THR A 1 136 ? 20.764 15.711 9.227 1.00 35.94 ? 136 THR A N 1 ATOM 2235 C CA . THR A 1 136 ? 22.046 15.368 8.627 1.00 36.22 ? 136 THR A CA 1 ATOM 2236 C C . THR A 1 136 ? 23.017 16.561 8.575 1.00 42.16 ? 136 THR A C 1 ATOM 2237 O O . THR A 1 136 ? 24.157 16.469 8.997 1.00 41.95 ? 136 THR A O 1 ATOM 2238 C CB . THR A 1 136 ? 21.794 14.810 7.218 1.00 36.91 ? 136 THR A CB 1 ATOM 2239 O OG1 . THR A 1 136 ? 21.019 13.634 7.367 1.00 38.90 ? 136 THR A OG1 1 ATOM 2240 C CG2 . THR A 1 136 ? 23.077 14.497 6.458 1.00 37.33 ? 136 THR A CG2 1 ATOM 2241 H H . THR A 1 136 ? 19.992 15.733 8.569 1.00 36.57 ? 136 THR A H 1 ATOM 2242 H HA . THR A 1 136 ? 22.516 14.580 9.214 1.00 37.29 ? 136 THR A HA 1 ATOM 2243 H HB . THR A 1 136 ? 21.228 15.532 6.633 1.00 36.72 ? 136 THR A HB 1 ATOM 2244 H HG1 . THR A 1 136 ? 20.079 13.814 7.107 1.00 40.16 ? 136 THR A HG1 1 ATOM 2245 H HG21 . THR A 1 136 ? 23.739 13.894 7.079 1.00 38.10 ? 136 THR A HG21 1 ATOM 2246 H HG22 . THR A 1 136 ? 22.847 13.940 5.552 1.00 36.96 ? 136 THR A HG22 1 ATOM 2247 H HG23 . THR A 1 136 ? 23.592 15.413 6.175 1.00 36.50 ? 136 THR A HG23 1 ATOM 2248 N N . ILE A 1 137 ? 22.558 17.654 8.024 1.00 40.86 ? 137 ILE A N 1 ATOM 2249 C CA . ILE A 1 137 ? 23.366 18.829 7.702 1.00 41.94 ? 137 ILE A CA 1 ATOM 2250 C C . ILE A 1 137 ? 23.631 19.822 8.802 1.00 42.87 ? 137 ILE A C 1 ATOM 2251 O O . ILE A 1 137 ? 24.628 20.547 8.741 1.00 42.73 ? 137 ILE A O 1 ATOM 2252 C CB . ILE A 1 137 ? 22.595 19.576 6.523 1.00 46.60 ? 137 ILE A CB 1 ATOM 2253 C CG1 . ILE A 1 137 ? 22.553 18.746 5.242 1.00 48.80 ? 137 ILE A CG1 1 ATOM 2254 C CG2 . ILE A 1 137 ? 23.102 20.979 6.237 1.00 48.99 ? 137 ILE A CG2 1 ATOM 2255 C CD1 . ILE A 1 137 ? 23.891 18.241 4.718 1.00 62.37 ? 137 ILE A CD1 1 ATOM 2256 H H . ILE A 1 137 ? 21.577 17.756 7.785 1.00 40.18 ? 137 ILE A H 1 ATOM 2257 H HA . ILE A 1 137 ? 24.342 18.502 7.348 1.00 41.85 ? 137 ILE A HA 1 ATOM 2258 H HB . ILE A 1 137 ? 21.562 19.717 6.837 1.00 46.36 ? 137 ILE A HB 1 ATOM 2259 H HG12 . ILE A 1 137 ? 21.936 17.866 5.420 1.00 49.36 ? 137 ILE A HG12 1 ATOM 2260 H HG13 . ILE A 1 137 ? 22.098 19.349 4.457 1.00 48.26 ? 137 ILE A HG13 1 ATOM 2261 H HG21 . ILE A 1 137 ? 24.190 20.969 6.188 1.00 48.54 ? 137 ILE A HG21 1 ATOM 2262 H HG22 . ILE A 1 137 ? 22.689 21.312 5.286 1.00 50.20 ? 137 ILE A HG22 1 ATOM 2263 H HG23 . ILE A 1 137 ? 22.754 21.656 7.016 1.00 48.34 ? 137 ILE A HG23 1 ATOM 2264 H HD11 . ILE A 1 137 ? 24.592 19.073 4.660 1.00 62.41 ? 137 ILE A HD11 1 ATOM 2265 H HD12 . ILE A 1 137 ? 24.266 17.473 5.392 1.00 62.18 ? 137 ILE A HD12 1 ATOM 2266 H HD13 . ILE A 1 137 ? 23.742 17.807 3.731 1.00 62.44 ? 137 ILE A HD13 1 ATOM 2267 N N . CYS A 1 138 ? 22.724 19.926 9.732 1.00 38.44 ? 138 CYS A N 1 ATOM 2268 C CA A CYS A 1 138 ? 22.698 20.946 10.795 0.50 38.05 ? 138 CYS A CA 1 ATOM 2269 C CA B CYS A 1 138 ? 22.804 20.963 10.731 0.50 38.76 ? 138 CYS A CA 1 ATOM 2270 C C . CYS A 1 138 ? 23.454 20.538 12.041 1.00 40.94 ? 138 CYS A C 1 ATOM 2271 O O . CYS A 1 138 ? 23.109 19.518 12.605 1.00 40.37 ? 138 CYS A O 1 ATOM 2272 C CB A CYS A 1 138 ? 21.242 21.254 11.142 0.50 38.36 ? 138 CYS A CB 1 ATOM 2273 C CB B CYS A 1 138 ? 21.404 21.508 10.926 0.50 39.79 ? 138 CYS A CB 1 ATOM 2274 S SG A CYS A 1 138 ? 20.967 22.828 12.000 0.50 42.29 ? 138 CYS A SG 1 ATOM 2275 S SG B CYS A 1 138 ? 20.647 22.027 9.358 0.50 44.20 ? 138 CYS A SG 1 ATOM 2276 H H A CYS A 1 138 ? 21.931 19.297 9.801 0.50 38.49 ? 138 CYS A H 1 ATOM 2277 H H B CYS A 1 138 ? 21.916 19.319 9.829 0.50 38.49 ? 138 CYS A H 1 ATOM 2278 H HA A CYS A 1 138 ? 23.122 21.866 10.395 0.50 38.07 ? 138 CYS A HA 1 ATOM 2279 H HA B CYS A 1 138 ? 23.364 21.798 10.316 0.50 38.68 ? 138 CYS A HA 1 ATOM 2280 H HB2 A CYS A 1 138 ? 20.680 21.287 10.209 0.50 38.25 ? 138 CYS A HB2 1 ATOM 2281 H HB2 B CYS A 1 138 ? 20.783 20.715 11.340 0.50 39.80 ? 138 CYS A HB2 1 ATOM 2282 H HB3 A CYS A 1 138 ? 20.848 20.458 11.770 0.50 38.64 ? 138 CYS A HB3 1 ATOM 2283 H HB3 B CYS A 1 138 ? 21.427 22.323 11.646 0.50 40.09 ? 138 CYS A HB3 1 ATOM 2284 N N . PRO A 1 139 ? 24.425 21.350 12.533 1.00 36.59 ? 139 PRO A N 1 ATOM 2285 C CA . PRO A 1 139 ? 25.058 20.977 13.809 1.00 36.74 ? 139 PRO A CA 1 ATOM 2286 C C . PRO A 1 139 ? 24.083 21.299 14.945 1.00 42.95 ? 139 PRO A C 1 ATOM 2287 O O . PRO A 1 139 ? 23.380 22.313 14.871 1.00 43.53 ? 139 PRO A O 1 ATOM 2288 C CB . PRO A 1 139 ? 26.303 21.874 13.886 1.00 37.45 ? 139 PRO A CB 1 ATOM 2289 C CG . PRO A 1 139 ? 26.012 22.999 12.986 1.00 41.13 ? 139 PRO A CG 1 ATOM 2290 C CD . PRO A 1 139 ? 25.038 22.571 11.959 1.00 35.45 ? 139 PRO A CD 1 ATOM 2291 H HA . PRO A 1 139 ? 25.346 19.927 13.832 1.00 36.41 ? 139 PRO A HA 1 ATOM 2292 H HB2 . PRO A 1 139 ? 26.442 22.225 14.908 1.00 36.34 ? 139 PRO A HB2 1 ATOM 2293 H HB3 . PRO A 1 139 ? 27.185 21.332 13.551 1.00 37.18 ? 139 PRO A HB3 1 ATOM 2294 H HG2 . PRO A 1 139 ? 25.584 23.810 13.573 1.00 41.65 ? 139 PRO A HG2 1 ATOM 2295 H HG3 . PRO A 1 139 ? 26.937 23.324 12.511 1.00 41.43 ? 139 PRO A HG3 1 ATOM 2296 H HD2 . PRO A 1 139 ? 24.291 23.349 11.820 1.00 33.55 ? 139 PRO A HD2 1 ATOM 2297 H HD3 . PRO A 1 139 ? 25.546 22.340 11.024 1.00 34.15 ? 139 PRO A HD3 1 ATOM 2298 N N . ASP A 1 140 ? 24.006 20.426 15.959 1.00 39.87 ? 140 ASP A N 1 ATOM 2299 C CA . ASP A 1 140 ? 23.154 20.633 17.148 1.00 38.89 ? 140 ASP A CA 1 ATOM 2300 C C . ASP A 1 140 ? 21.720 21.036 16.792 1.00 39.98 ? 140 ASP A C 1 ATOM 2301 O O . ASP A 1 140 ? 21.234 22.061 17.269 1.00 38.44 ? 140 ASP A O 1 ATOM 2302 C CB . ASP A 1 140 ? 23.775 21.711 18.046 1.00 42.26 ? 140 ASP A CB 1 ATOM 2303 C CG . ASP A 1 140 ? 25.260 21.560 18.332 1.00 57.10 ? 140 ASP A CG 1 ATOM 2304 O OD1 . ASP A 1 140 ? 25.687 20.439 18.714 1.00 58.77 ? 140 ASP A OD1 1 ATOM 2305 O OD2 . ASP A 1 140 ? 25.999 22.557 18.166 1.00 63.62 ? 140 ASP A OD2 1 ATOM 2306 H H . ASP A 1 140 ? 24.513 19.547 15.978 1.00 39.47 ? 140 ASP A H 1 ATOM 2307 H HA . ASP A 1 140 ? 23.105 19.707 17.718 1.00 38.09 ? 140 ASP A HA 1 ATOM 2308 H HB2 . ASP A 1 140 ? 23.653 22.681 17.565 1.00 42.41 ? 140 ASP A HB2 1 ATOM 2309 H HB3 . ASP A 1 140 ? 23.253 21.691 19.002 1.00 42.20 ? 140 ASP A HB3 1 ATOM 2310 N N . PRO A 1 141 ? 21.061 20.259 15.913 1.00 36.55 ? 141 PRO A N 1 ATOM 2311 C CA . PRO A 1 141 ? 19.705 20.578 15.467 1.00 37.04 ? 141 PRO A CA 1 ATOM 2312 C C . PRO A 1 141 ? 18.676 20.630 16.635 1.00 42.81 ? 141 PRO A C 1 ATOM 2313 O O . PRO A 1 141 ? 18.644 19.721 17.474 1.00 43.45 ? 141 PRO A O 1 ATOM 2314 C CB . PRO A 1 141 ? 19.403 19.449 14.470 1.00 38.44 ? 141 PRO A CB 1 ATOM 2315 C CG . PRO A 1 141 ? 20.208 18.316 14.947 1.00 41.86 ? 141 PRO A CG 1 ATOM 2316 C CD . PRO A 1 141 ? 21.392 18.843 15.657 1.00 36.71 ? 141 PRO A CD 1 ATOM 2317 H HA . PRO A 1 141 ? 19.700 21.526 14.930 1.00 36.92 ? 141 PRO A HA 1 ATOM 2318 H HB2 . PRO A 1 141 ? 18.343 19.203 14.495 1.00 38.68 ? 141 PRO A HB2 1 ATOM 2319 H HB3 . PRO A 1 141 ? 19.711 19.731 13.466 1.00 37.72 ? 141 PRO A HB3 1 ATOM 2320 H HG2 . PRO A 1 141 ? 19.610 17.717 15.633 1.00 41.08 ? 141 PRO A HG2 1 ATOM 2321 H HG3 . PRO A 1 141 ? 20.525 17.719 14.094 1.00 42.38 ? 141 PRO A HG3 1 ATOM 2322 H HD2 . PRO A 1 141 ? 21.524 18.324 16.605 1.00 36.64 ? 141 PRO A HD2 1 ATOM 2323 H HD3 . PRO A 1 141 ? 22.269 18.751 15.019 1.00 36.40 ? 141 PRO A HD3 1 ATOM 2324 N N . VAL A 1 142 ? 17.917 21.731 16.712 1.00 38.64 ? 142 VAL A N 1 ATOM 2325 C CA . VAL A 1 142 ? 16.844 21.962 17.669 1.00 38.67 ? 142 VAL A CA 1 ATOM 2326 C C . VAL A 1 142 ? 15.542 22.092 16.856 1.00 39.98 ? 142 VAL A C 1 ATOM 2327 O O . VAL A 1 142 ? 15.382 23.096 16.155 1.00 36.32 ? 142 VAL A O 1 ATOM 2328 C CB . VAL A 1 142 ? 17.076 23.240 18.510 1.00 44.59 ? 142 VAL A CB 1 ATOM 2329 C CG1 . VAL A 1 142 ? 15.869 23.534 19.389 1.00 45.29 ? 142 VAL A CG1 1 ATOM 2330 C CG2 . VAL A 1 142 ? 18.335 23.128 19.357 1.00 45.31 ? 142 VAL A CG2 1 ATOM 2331 H H . VAL A 1 142 ? 18.048 22.535 16.108 1.00 39.29 ? 142 VAL A H 1 ATOM 2332 H HA . VAL A 1 142 ? 16.770 21.138 18.375 1.00 38.82 ? 142 VAL A HA 1 ATOM 2333 H HB . VAL A 1 142 ? 17.207 24.089 17.841 1.00 44.36 ? 142 VAL A HB 1 ATOM 2334 H HG11 . VAL A 1 142 ? 15.494 22.594 19.794 1.00 44.84 ? 142 VAL A HG11 1 ATOM 2335 H HG12 . VAL A 1 142 ? 16.160 24.206 20.196 1.00 45.45 ? 142 VAL A HG12 1 ATOM 2336 H HG13 . VAL A 1 142 ? 15.097 24.018 18.792 1.00 46.09 ? 142 VAL A HG13 1 ATOM 2337 H HG21 . VAL A 1 142 ? 19.207 23.065 18.707 1.00 46.26 ? 142 VAL A HG21 1 ATOM 2338 H HG22 . VAL A 1 142 ? 18.422 24.016 19.982 1.00 45.17 ? 142 VAL A HG22 1 ATOM 2339 H HG23 . VAL A 1 142 ? 18.260 22.233 19.973 1.00 44.63 ? 142 VAL A HG23 1 ATOM 2340 N N . PRO A 1 143 ? 14.585 21.143 16.998 1.00 37.31 ? 143 PRO A N 1 ATOM 2341 C CA . PRO A 1 143 ? 13.290 21.325 16.334 1.00 37.07 ? 143 PRO A CA 1 ATOM 2342 C C . PRO A 1 143 ? 12.451 22.380 17.102 1.00 39.96 ? 143 PRO A C 1 ATOM 2343 O O . PRO A 1 143 ? 12.593 22.523 18.315 1.00 39.94 ? 143 PRO A O 1 ATOM 2344 C CB . PRO A 1 143 ? 12.651 19.927 16.395 1.00 38.48 ? 143 PRO A CB 1 ATOM 2345 C CG . PRO A 1 143 ? 13.215 19.323 17.690 1.00 44.17 ? 143 PRO A CG 1 ATOM 2346 C CD . PRO A 1 143 ? 14.561 19.996 17.944 1.00 39.14 ? 143 PRO A CD 1 ATOM 2347 H HA . PRO A 1 143 ? 13.414 21.631 15.295 1.00 37.73 ? 143 PRO A HA 1 ATOM 2348 H HB2 . PRO A 1 143 ? 11.567 20.015 16.435 1.00 36.17 ? 143 PRO A HB2 1 ATOM 2349 H HB3 . PRO A 1 143 ? 12.962 19.336 15.535 1.00 37.55 ? 143 PRO A HB3 1 ATOM 2350 H HG2 . PRO A 1 143 ? 12.538 19.539 18.516 1.00 44.29 ? 143 PRO A HG2 1 ATOM 2351 H HG3 . PRO A 1 143 ? 13.337 18.247 17.570 1.00 43.81 ? 143 PRO A HG3 1 ATOM 2352 H HD2 . PRO A 1 143 ? 14.611 20.348 18.973 1.00 37.86 ? 143 PRO A HD2 1 ATOM 2353 H HD3 . PRO A 1 143 ? 15.372 19.303 17.720 1.00 38.43 ? 143 PRO A HD3 1 ATOM 2354 N N . VAL A 1 144 ? 11.621 23.141 16.389 1.00 34.72 ? 144 VAL A N 1 ATOM 2355 C CA . VAL A 1 144 ? 10.740 24.122 17.017 1.00 34.68 ? 144 VAL A CA 1 ATOM 2356 C C . VAL A 1 144 ? 9.387 23.369 17.105 1.00 39.40 ? 144 VAL A C 1 ATOM 2357 O O . VAL A 1 144 ? 8.804 23.092 16.069 1.00 38.63 ? 144 VAL A O 1 ATOM 2358 C CB . VAL A 1 144 ? 10.626 25.456 16.223 1.00 38.12 ? 144 VAL A CB 1 ATOM 2359 C CG1 . VAL A 1 144 ? 9.607 26.405 16.883 1.00 37.58 ? 144 VAL A CG1 1 ATOM 2360 C CG2 . VAL A 1 144 ? 11.993 26.141 16.103 1.00 37.11 ? 144 VAL A CG2 1 ATOM 2361 H H . VAL A 1 144 ? 11.514 23.072 15.383 1.00 34.46 ? 144 VAL A H 1 ATOM 2362 H HA . VAL A 1 144 ? 11.101 24.392 18.008 1.00 34.33 ? 144 VAL A HA 1 ATOM 2363 H HB . VAL A 1 144 ? 10.265 25.242 15.218 1.00 37.73 ? 144 VAL A HB 1 ATOM 2364 H HG11 . VAL A 1 144 ? 9.915 26.609 17.907 1.00 36.72 ? 144 VAL A HG11 1 ATOM 2365 H HG12 . VAL A 1 144 ? 9.583 27.329 16.310 1.00 38.14 ? 144 VAL A HG12 1 ATOM 2366 H HG13 . VAL A 1 144 ? 8.614 25.959 16.874 1.00 37.58 ? 144 VAL A HG13 1 ATOM 2367 H HG21 . VAL A 1 144 ? 12.704 25.457 15.642 1.00 36.25 ? 144 VAL A HG21 1 ATOM 2368 H HG22 . VAL A 1 144 ? 11.884 27.030 15.484 1.00 36.66 ? 144 VAL A HG22 1 ATOM 2369 H HG23 . VAL A 1 144 ? 12.341 26.434 17.093 1.00 36.20 ? 144 VAL A HG23 1 ATOM 2370 N N . PRO A 1 145 ? 8.912 23.004 18.307 1.00 40.11 ? 145 PRO A N 1 ATOM 2371 C CA . PRO A 1 145 ? 7.634 22.278 18.400 1.00 41.27 ? 145 PRO A CA 1 ATOM 2372 C C . PRO A 1 145 ? 6.427 23.111 17.980 1.00 44.00 ? 145 PRO A C 1 ATOM 2373 O O . PRO A 1 145 ? 6.426 24.324 18.136 1.00 40.42 ? 145 PRO A O 1 ATOM 2374 C CB . PRO A 1 145 ? 7.541 21.892 19.872 1.00 43.30 ? 145 PRO A CB 1 ATOM 2375 C CG . PRO A 1 145 ? 8.329 22.937 20.598 1.00 48.20 ? 145 PRO A CG 1 ATOM 2376 C CD . PRO A 1 145 ? 9.352 23.497 19.632 1.00 43.16 ? 145 PRO A CD 1 ATOM 2377 H HA . PRO A 1 145 ? 7.676 21.375 17.793 1.00 42.00 ? 145 PRO A HA 1 ATOM 2378 H HB2 . PRO A 1 145 ? 6.499 21.898 20.188 1.00 42.80 ? 145 PRO A HB2 1 ATOM 2379 H HB3 . PRO A 1 145 ? 7.986 20.909 20.017 1.00 43.73 ? 145 PRO A HB3 1 ATOM 2380 H HG2 . PRO A 1 145 ? 7.656 23.726 20.930 1.00 48.20 ? 145 PRO A HG2 1 ATOM 2381 H HG3 . PRO A 1 145 ? 8.829 22.480 21.450 1.00 47.75 ? 145 PRO A HG3 1 ATOM 2382 H HD2 . PRO A 1 145 ? 9.340 24.586 19.649 1.00 42.78 ? 145 PRO A HD2 1 ATOM 2383 H HD3 . PRO A 1 145 ? 10.340 23.107 19.875 1.00 43.07 ? 145 PRO A HD3 1 ATOM 2384 N N . PHE A 1 146 ? 5.425 22.454 17.416 1.00 43.52 ? 146 PHE A N 1 ATOM 2385 C CA . PHE A 1 146 ? 4.174 23.103 17.023 1.00 43.85 ? 146 PHE A CA 1 ATOM 2386 C C . PHE A 1 146 ? 3.441 23.696 18.213 1.00 49.59 ? 146 PHE A C 1 ATOM 2387 O O . PHE A 1 146 ? 3.354 23.068 19.266 1.00 50.43 ? 146 PHE A O 1 ATOM 2388 C CB . PHE A 1 146 ? 3.257 22.134 16.278 1.00 45.52 ? 146 PHE A CB 1 ATOM 2389 C CG . PHE A 1 146 ? 1.951 22.760 15.838 1.00 47.77 ? 146 PHE A CG 1 ATOM 2390 C CD1 . PHE A 1 146 ? 1.893 23.558 14.709 1.00 50.98 ? 146 PHE A CD1 1 ATOM 2391 C CD2 . PHE A 1 146 ? 0.779 22.534 16.545 1.00 49.05 ? 146 PHE A CD2 1 ATOM 2392 C CE1 . PHE A 1 146 ? 0.692 24.141 14.307 1.00 52.51 ? 146 PHE A CE1 1 ATOM 2393 C CE2 . PHE A 1 146 ? -0.425 23.100 16.128 1.00 51.79 ? 146 PHE A CE2 1 ATOM 2394 C CZ . PHE A 1 146 ? -0.463 23.900 15.013 1.00 50.29 ? 146 PHE A CZ 1 ATOM 2395 H H . PHE A 1 146 ? 5.465 21.465 17.193 1.00 44.36 ? 146 PHE A H 1 ATOM 2396 H HA . PHE A 1 146 ? 4.405 23.931 16.361 1.00 44.12 ? 146 PHE A HA 1 ATOM 2397 H HB2 . PHE A 1 146 ? 3.771 21.777 15.388 1.00 44.87 ? 146 PHE A HB2 1 ATOM 2398 H HB3 . PHE A 1 146 ? 3.027 21.303 16.943 1.00 44.61 ? 146 PHE A HB3 1 ATOM 2399 H HD1 . PHE A 1 146 ? 2.795 23.732 14.126 1.00 51.09 ? 146 PHE A HD1 1 ATOM 2400 H HD2 . PHE A 1 146 ? 0.800 21.908 17.436 1.00 48.13 ? 146 PHE A HD2 1 ATOM 2401 H HE1 . PHE A 1 146 ? 0.664 24.761 13.412 1.00 52.90 ? 146 PHE A HE1 1 ATOM 2402 H HE2 . PHE A 1 146 ? -1.334 22.926 16.701 1.00 52.23 ? 146 PHE A HE2 1 ATOM 2403 H HZ . PHE A 1 146 ? -1.398 24.360 14.699 1.00 49.57 ? 146 PHE A HZ 1 ATOM 2404 N N . ASP A 1 147 ? 2.937 24.924 18.048 1.00 46.71 ? 147 ASP A N 1 ATOM 2405 C CA . ASP A 1 147 ? 2.183 25.606 19.097 1.00 46.12 ? 147 ASP A CA 1 ATOM 2406 C C . ASP A 1 147 ? 1.010 26.361 18.458 1.00 50.37 ? 147 ASP A C 1 ATOM 2407 O O . ASP A 1 147 ? 1.224 27.290 17.677 1.00 48.12 ? 147 ASP A O 1 ATOM 2408 C CB . ASP A 1 147 ? 3.107 26.537 19.887 1.00 47.90 ? 147 ASP A CB 1 ATOM 2409 C CG . ASP A 1 147 ? 2.525 27.016 21.205 1.00 60.11 ? 147 ASP A CG 1 ATOM 2410 O OD1 . ASP A 1 147 ? 1.283 27.044 21.333 1.00 62.18 ? 147 ASP A OD1 1 ATOM 2411 O OD2 . ASP A 1 147 ? 3.312 27.396 22.096 1.00 63.88 ? 147 ASP A OD2 1 ATOM 2412 H H . ASP A 1 147 ? 3.035 25.474 17.200 1.00 46.14 ? 147 ASP A H 1 ATOM 2413 H HA . ASP A 1 147 ? 1.774 24.885 19.804 1.00 46.00 ? 147 ASP A HA 1 ATOM 2414 H HB2 . ASP A 1 147 ? 4.031 26.002 20.104 1.00 47.02 ? 147 ASP A HB2 1 ATOM 2415 H HB3 . ASP A 1 147 ? 3.332 27.411 19.280 1.00 48.06 ? 147 ASP A HB3 1 ATOM 2416 N N . GLU A 1 148 ? -0.237 25.915 18.763 1.00 50.03 ? 148 GLU A N 1 ATOM 2417 C CA . GLU A 1 148 ? -1.511 26.507 18.276 1.00 50.27 ? 148 GLU A CA 1 ATOM 2418 C C . GLU A 1 148 ? -1.578 28.013 18.520 1.00 50.02 ? 148 GLU A C 1 ATOM 2419 O O . GLU A 1 148 ? -2.163 28.743 17.740 1.00 49.36 ? 148 GLU A O 1 ATOM 2420 C CB . GLU A 1 148 ? -2.717 25.892 19.039 1.00 52.77 ? 148 GLU A CB 1 ATOM 2421 C CG . GLU A 1 148 ? -3.056 24.446 18.713 1.00 72.21 ? 148 GLU A CG 1 ATOM 2422 C CD . GLU A 1 148 ? -3.977 23.748 19.711 1.00 102.92 ? 148 GLU A CD 1 ATOM 2423 O OE1 . GLU A 1 148 ? -4.570 24.439 20.575 1.00 88.84 ? 148 GLU A OE1 1 ATOM 2424 O OE2 . GLU A 1 148 ? -4.104 22.503 19.626 1.00 97.66 ? 148 GLU A OE2 1 ATOM 2425 H H . GLU A 1 148 ? -0.386 25.119 19.376 1.00 50.10 ? 148 GLU A H 1 ATOM 2426 H HA . GLU A 1 148 ? -1.631 26.313 17.211 1.00 49.81 ? 148 GLU A HA 1 ATOM 2427 H HB2 . GLU A 1 148 ? -2.507 25.956 20.106 1.00 52.04 ? 148 GLU A HB2 1 ATOM 2428 H HB3 . GLU A 1 148 ? -3.606 26.479 18.811 1.00 53.08 ? 148 GLU A HB3 1 ATOM 2429 H HG2 . GLU A 1 148 ? -3.549 24.425 17.742 1.00 72.26 ? 148 GLU A HG2 1 ATOM 2430 H HG3 . GLU A 1 148 ? -2.135 23.869 18.660 1.00 72.50 ? 148 GLU A HG3 1 ATOM 2431 N N . ARG A 1 149 ? -1.009 28.459 19.623 1.00 46.13 ? 149 ARG A N 1 ATOM 2432 C CA . ARG A 1 149 ? -1.023 29.860 20.041 1.00 45.72 ? 149 ARG A CA 1 ATOM 2433 C C . ARG A 1 149 ? -0.225 30.815 19.143 1.00 50.35 ? 149 ARG A C 1 ATOM 2434 O O . ARG A 1 149 ? -0.423 32.027 19.230 1.00 51.44 ? 149 ARG A O 1 ATOM 2435 C CB . ARG A 1 149 ? -0.537 29.953 21.504 1.00 44.35 ? 149 ARG A CB 1 ATOM 2436 C CG . ARG A 1 149 ? -1.448 29.201 22.499 1.00 51.64 ? 149 ARG A CG 1 ATOM 2437 C CD . ARG A 1 149 ? -0.897 29.175 23.907 1.00 60.63 ? 149 ARG A CD 1 ATOM 2438 N NE . ARG A 1 149 ? 0.349 28.403 23.979 1.00 66.94 ? 149 ARG A NE 1 ATOM 2439 C CZ . ARG A 1 149 ? 1.274 28.517 24.935 1.00 85.13 ? 149 ARG A CZ 1 ATOM 2440 N NH1 . ARG A 1 149 ? 1.101 29.366 25.948 1.00 78.68 ? 149 ARG A NH1 1 ATOM 2441 N NH2 . ARG A 1 149 ? 2.381 27.787 24.885 1.00 68.73 ? 149 ARG A NH2 1 ATOM 2442 H H . ARG A 1 149 ? -0.503 27.858 20.265 1.00 45.97 ? 149 ARG A H 1 ATOM 2443 H HA . ARG A 1 149 ? -2.056 30.205 20.021 1.00 45.90 ? 149 ARG A HA 1 ATOM 2444 H HB2 . ARG A 1 149 ? 0.464 29.529 21.566 1.00 44.02 ? 149 ARG A HB2 1 ATOM 2445 H HB3 . ARG A 1 149 ? -0.504 31.000 21.800 1.00 44.26 ? 149 ARG A HB3 1 ATOM 2446 H HG2 . ARG A 1 149 ? -2.412 29.706 22.534 1.00 51.88 ? 149 ARG A HG2 1 ATOM 2447 H HG3 . ARG A 1 149 ? -1.582 28.166 22.189 1.00 51.38 ? 149 ARG A HG3 1 ATOM 2448 H HD2 . ARG A 1 149 ? -0.703 30.209 24.185 1.00 60.33 ? 149 ARG A HD2 1 ATOM 2449 H HD3 . ARG A 1 149 ? -1.625 28.727 24.581 1.00 60.51 ? 149 ARG A HD3 1 ATOM 2450 H HE . ARG A 1 149 ? 0.529 27.755 23.220 1.00 66.70 ? 149 ARG A HE 1 ATOM 2451 H HH11 . ARG A 1 149 ? 0.271 29.941 26.046 1.00 78.95 ? 149 ARG A HH11 1 ATOM 2452 H HH12 . ARG A 1 149 ? 1.812 29.430 26.670 1.00 78.72 ? 149 ARG A HH12 1 ATOM 2453 H HH21 . ARG A 1 149 ? 2.533 27.137 24.121 1.00 69.11 ? 149 ARG A HH21 1 ATOM 2454 H HH22 . ARG A 1 149 ? 3.084 27.870 25.612 1.00 68.86 ? 149 ARG A HH22 1 ATOM 2455 N N . CYS A 1 150 ? 0.658 30.290 18.273 1.00 46.28 ? 150 CYS A N 1 ATOM 2456 C CA . CYS A 1 150 ? 1.485 31.097 17.365 1.00 45.27 ? 150 CYS A CA 1 ATOM 2457 C C . CYS A 1 150 ? 0.777 31.514 16.066 1.00 53.64 ? 150 CYS A C 1 ATOM 2458 O O . CYS A 1 150 ? 1.419 32.075 15.173 1.00 54.78 ? 150 CYS A O 1 ATOM 2459 C CB . CYS A 1 150 ? 2.794 30.358 17.077 1.00 43.69 ? 150 CYS A CB 1 ATOM 2460 S SG . CYS A 1 150 ? 3.836 30.158 18.541 1.00 47.30 ? 150 CYS A SG 1 ATOM 2461 H H . CYS A 1 150 ? 0.858 29.298 18.197 1.00 46.73 ? 150 CYS A H 1 ATOM 2462 H HA . CYS A 1 150 ? 1.741 32.027 17.869 1.00 45.16 ? 150 CYS A HA 1 ATOM 2463 H HB2 . CYS A 1 150 ? 2.576 29.364 16.689 1.00 42.86 ? 150 CYS A HB2 1 ATOM 2464 H HB3 . CYS A 1 150 ? 3.371 30.906 16.335 1.00 42.94 ? 150 CYS A HB3 1 ATOM 2465 N N . TYR A 1 151 ? -0.522 31.273 15.965 1.00 52.98 ? 151 TYR A N 1 ATOM 2466 C CA . TYR A 1 151 ? -1.299 31.545 14.756 1.00 54.79 ? 151 TYR A CA 1 ATOM 2467 C C . TYR A 1 151 ? -2.477 32.467 14.995 1.00 66.21 ? 151 TYR A C 1 ATOM 2468 O O . TYR A 1 151 ? -3.037 32.434 16.088 1.00 65.14 ? 151 TYR A O 1 ATOM 2469 C CB . TYR A 1 151 ? -1.835 30.230 14.204 1.00 53.53 ? 151 TYR A CB 1 ATOM 2470 C CG . TYR A 1 151 ? -0.713 29.316 13.818 1.00 51.06 ? 151 TYR A CG 1 ATOM 2471 C CD1 . TYR A 1 151 ? -0.072 29.455 12.596 1.00 51.52 ? 151 TYR A CD1 1 ATOM 2472 C CD2 . TYR A 1 151 ? -0.181 28.417 14.732 1.00 51.47 ? 151 TYR A CD2 1 ATOM 2473 C CE1 . TYR A 1 151 ? 1.010 28.659 12.255 1.00 50.30 ? 151 TYR A CE1 1 ATOM 2474 C CE2 . TYR A 1 151 ? 0.936 27.653 14.422 1.00 52.31 ? 151 TYR A CE2 1 ATOM 2475 C CZ . TYR A 1 151 ? 1.527 27.777 13.180 1.00 54.99 ? 151 TYR A CZ 1 ATOM 2476 O OH . TYR A 1 151 ? 2.640 27.054 12.895 1.00 55.14 ? 151 TYR A OH 1 ATOM 2477 H H . TYR A 1 151 ? -1.107 30.883 16.695 1.00 53.58 ? 151 TYR A H 1 ATOM 2478 H HA . TYR A 1 151 ? -0.645 31.961 13.992 1.00 55.51 ? 151 TYR A HA 1 ATOM 2479 H HB2 . TYR A 1 151 ? -2.452 29.737 14.954 1.00 53.53 ? 151 TYR A HB2 1 ATOM 2480 H HB3 . TYR A 1 151 ? -2.412 30.453 13.311 1.00 53.92 ? 151 TYR A HB3 1 ATOM 2481 H HD1 . TYR A 1 151 ? -0.446 30.182 11.878 1.00 51.22 ? 151 TYR A HD1 1 ATOM 2482 H HD2 . TYR A 1 151 ? -0.635 28.321 15.716 1.00 50.99 ? 151 TYR A HD2 1 ATOM 2483 H HE1 . TYR A 1 151 ? 1.492 28.779 11.287 1.00 50.65 ? 151 TYR A HE1 1 ATOM 2484 H HE2 . TYR A 1 151 ? 1.320 26.926 15.136 1.00 52.35 ? 151 TYR A HE2 1 ATOM 2485 H HH . TYR A 1 151 ? 3.209 27.546 12.247 1.00 55.36 ? 151 TYR A HH 1 ATOM 2486 N N . PRO A 1 152 ? -2.900 33.242 13.956 1.00 69.92 ? 152 PRO A N 1 ATOM 2487 C CA . PRO A 1 152 ? -4.086 34.103 14.075 1.00 72.65 ? 152 PRO A CA 1 ATOM 2488 C C . PRO A 1 152 ? -5.335 33.299 14.501 1.00 83.12 ? 152 PRO A C 1 ATOM 2489 O O . PRO A 1 152 ? -5.478 32.119 14.139 1.00 81.96 ? 152 PRO A O 1 ATOM 2490 C CB . PRO A 1 152 ? -4.244 34.685 12.664 1.00 74.14 ? 152 PRO A CB 1 ATOM 2491 C CG . PRO A 1 152 ? -2.891 34.642 12.078 1.00 76.81 ? 152 PRO A CG 1 ATOM 2492 C CD . PRO A 1 152 ? -2.217 33.448 12.659 1.00 71.59 ? 152 PRO A CD 1 ATOM 2493 H HA . PRO A 1 152 ? -3.908 34.910 14.785 1.00 72.53 ? 152 PRO A HA 1 ATOM 2494 H HB2 . PRO A 1 152 ? -4.931 34.073 12.081 1.00 74.40 ? 152 PRO A HB2 1 ATOM 2495 H HB3 . PRO A 1 152 ? -4.603 35.711 12.728 1.00 74.48 ? 152 PRO A HB3 1 ATOM 2496 H HG2 . PRO A 1 152 ? -2.967 34.546 10.996 1.00 76.71 ? 152 PRO A HG2 1 ATOM 2497 H HG3 . PRO A 1 152 ? -2.353 35.551 12.340 1.00 76.63 ? 152 PRO A HG3 1 ATOM 2498 H HD2 . PRO A 1 152 ? -2.353 32.582 12.014 1.00 71.11 ? 152 PRO A HD2 1 ATOM 2499 H HD3 . PRO A 1 152 ? -1.163 33.678 12.805 1.00 71.58 ? 152 PRO A HD3 1 ATOM 2500 N N . GLY A 1 153 ? -6.206 33.932 15.305 1.00 85.28 ? 153 GLY A N 1 ATOM 2501 C CA . GLY A 1 153 ? -7.422 33.300 15.820 1.00 87.42 ? 153 GLY A CA 1 ATOM 2502 C C . GLY A 1 153 ? -7.092 32.504 17.088 1.00 96.03 ? 153 GLY A C 1 ATOM 2503 O O . GLY A 1 153 ? -6.754 33.107 18.111 1.00 96.70 ? 153 GLY A O 1 ATOM 2504 H HA2 . GLY A 1 153 ? -8.152 34.068 16.073 1.00 87.49 ? 153 GLY A HA2 1 ATOM 2505 H HA3 . GLY A 1 153 ? -7.863 32.639 15.076 1.00 87.42 ? 153 GLY A HA3 1 ATOM 2506 N N . GLY A 1 154 ? -7.178 31.160 17.025 1.00 94.50 ? 154 GLY A N 1 ATOM 2507 C CA . GLY A 1 154 ? -6.899 30.296 18.179 1.00 95.08 ? 154 GLY A CA 1 ATOM 2508 C C . GLY A 1 154 ? -5.400 30.226 18.506 1.00 99.37 ? 154 GLY A C 1 ATOM 2509 O O . GLY A 1 154 ? -4.564 30.484 17.643 1.00 99.01 ? 154 GLY A O 1 ATOM 2510 H H . GLY A 1 154 ? -7.436 30.642 16.191 1.00 94.46 ? 154 GLY A H 1 ATOM 2511 H HA2 . GLY A 1 154 ? -7.427 30.673 19.054 1.00 95.12 ? 154 GLY A HA2 1 ATOM 2512 H HA3 . GLY A 1 154 ? -7.256 29.288 17.973 1.00 95.25 ? 154 GLY A HA3 1 HETATM 2513 C C1 . CLR B 2 . ? 15.154 33.399 16.230 1.00 37.63 ? 575 CLR A C1 1 HETATM 2514 C C2 . CLR B 2 . ? 15.162 32.866 17.661 1.00 35.84 ? 575 CLR A C2 1 HETATM 2515 C C3 . CLR B 2 . ? 15.495 31.390 17.700 1.00 33.56 ? 575 CLR A C3 1 HETATM 2516 C C4 . CLR B 2 . ? 16.824 31.130 17.021 1.00 35.22 ? 575 CLR A C4 1 HETATM 2517 C C5 . CLR B 2 . ? 16.905 31.729 15.633 1.00 33.45 ? 575 CLR A C5 1 HETATM 2518 C C6 . CLR B 2 . ? 17.324 30.993 14.611 1.00 31.26 ? 575 CLR A C6 1 HETATM 2519 C C7 . CLR B 2 . ? 17.444 31.469 13.198 1.00 31.73 ? 575 CLR A C7 1 HETATM 2520 C C8 . CLR B 2 . ? 17.416 32.989 13.090 1.00 33.21 ? 575 CLR A C8 1 HETATM 2521 C C9 . CLR B 2 . ? 16.289 33.551 13.987 1.00 32.55 ? 575 CLR A C9 1 HETATM 2522 C C10 . CLR B 2 . ? 16.489 33.196 15.495 1.00 35.80 ? 575 CLR A C10 1 HETATM 2523 C C11 . CLR B 2 . ? 16.058 35.054 13.745 1.00 32.72 ? 575 CLR A C11 1 HETATM 2524 C C12 . CLR B 2 . ? 15.897 35.420 12.270 1.00 30.28 ? 575 CLR A C12 1 HETATM 2525 C C13 . CLR B 2 . ? 17.070 34.930 11.402 1.00 32.40 ? 575 CLR A C13 1 HETATM 2526 C C14 . CLR B 2 . ? 17.185 33.410 11.641 1.00 31.50 ? 575 CLR A C14 1 HETATM 2527 C C15 . CLR B 2 . ? 18.166 32.950 10.556 1.00 32.45 ? 575 CLR A C15 1 HETATM 2528 C C16 . CLR B 2 . ? 17.752 33.788 9.346 1.00 30.63 ? 575 CLR A C16 1 HETATM 2529 C C17 . CLR B 2 . ? 16.830 34.915 9.874 1.00 32.23 ? 575 CLR A C17 1 HETATM 2530 C C18 . CLR B 2 . ? 18.361 35.694 11.760 1.00 35.00 ? 575 CLR A C18 1 HETATM 2531 C C19 . CLR B 2 . ? 17.572 34.071 16.165 1.00 36.02 ? 575 CLR A C19 1 HETATM 2532 C C20 . CLR B 2 . ? 16.970 36.220 9.068 1.00 32.42 ? 575 CLR A C20 1 HETATM 2533 C C21 . CLR B 2 . ? 16.042 37.337 9.568 1.00 34.01 ? 575 CLR A C21 1 HETATM 2534 C C22 . CLR B 2 . ? 16.755 35.967 7.565 1.00 31.31 ? 575 CLR A C22 1 HETATM 2535 C C23 . CLR B 2 . ? 15.515 35.127 7.172 1.00 29.89 ? 575 CLR A C23 1 HETATM 2536 C C24 . CLR B 2 . ? 15.394 34.963 5.687 1.00 29.65 ? 575 CLR A C24 1 HETATM 2537 C C25 . CLR B 2 . ? 14.384 34.001 5.099 1.00 35.30 ? 575 CLR A C25 1 HETATM 2538 C C26 . CLR B 2 . ? 13.515 33.136 5.976 1.00 34.58 ? 575 CLR A C26 1 HETATM 2539 C C27 . CLR B 2 . ? 13.692 34.449 3.836 1.00 33.74 ? 575 CLR A C27 1 HETATM 2540 O O1 . CLR B 2 . ? 15.605 30.979 19.070 1.00 34.98 ? 575 CLR A O1 1 HETATM 2541 H H11 . CLR B 2 . ? 14.338 32.933 15.681 1.00 38.72 ? 575 CLR A H11 1 HETATM 2542 H H12 . CLR B 2 . ? 14.899 34.456 16.270 1.00 37.68 ? 575 CLR A H12 1 HETATM 2543 H H21 . CLR B 2 . ? 14.181 33.025 18.103 1.00 35.79 ? 575 CLR A H21 1 HETATM 2544 H H22 . CLR B 2 . ? 15.847 33.441 18.280 1.00 35.90 ? 575 CLR A H22 1 HETATM 2545 H H3 . CLR B 2 . ? 14.698 30.774 17.286 1.00 33.08 ? 575 CLR A H3 1 HETATM 2546 H H41 . CLR B 2 . ? 16.988 30.053 16.994 1.00 35.08 ? 575 CLR A H41 1 HETATM 2547 H H42 . CLR B 2 . ? 17.652 31.507 17.616 1.00 36.21 ? 575 CLR A H42 1 HETATM 2548 H H6 . CLR B 2 . ? 17.611 29.951 14.743 1.00 31.28 ? 575 CLR A H6 1 HETATM 2549 H H71 . CLR B 2 . ? 16.625 31.015 12.645 1.00 32.04 ? 575 CLR A H71 1 HETATM 2550 H H72 . CLR B 2 . ? 18.343 31.093 12.716 1.00 31.30 ? 575 CLR A H72 1 HETATM 2551 H H8 . CLR B 2 . ? 18.381 33.366 13.424 1.00 33.41 ? 575 CLR A H8 1 HETATM 2552 H H9 . CLR B 2 . ? 15.373 33.054 13.672 1.00 32.06 ? 575 CLR A H9 1 HETATM 2553 H H111 . CLR B 2 . ? 15.160 35.391 14.259 1.00 31.94 ? 575 CLR A H111 1 HETATM 2554 H H112 . CLR B 2 . ? 16.866 35.659 14.153 1.00 32.77 ? 575 CLR A H112 1 HETATM 2555 H H121 . CLR B 2 . ? 14.943 35.055 11.892 1.00 28.97 ? 575 CLR A H121 1 HETATM 2556 H H122 . CLR B 2 . ? 15.810 36.503 12.208 1.00 31.13 ? 575 CLR A H122 1 HETATM 2557 H H14 . CLR B 2 . ? 16.216 32.978 11.404 1.00 30.88 ? 575 CLR A H14 1 HETATM 2558 H H151 . CLR B 2 . ? 18.090 31.879 10.372 1.00 32.76 ? 575 CLR A H151 1 HETATM 2559 H H152 . CLR B 2 . ? 19.204 33.116 10.843 1.00 32.62 ? 575 CLR A H152 1 HETATM 2560 H H161 . CLR B 2 . ? 17.257 33.151 8.615 1.00 30.04 ? 575 CLR A H161 1 HETATM 2561 H H162 . CLR B 2 . ? 18.635 34.176 8.842 1.00 31.03 ? 575 CLR A H162 1 HETATM 2562 H H17 . CLR B 2 . ? 15.794 34.602 9.757 1.00 33.20 ? 575 CLR A H17 1 HETATM 2563 H H181 . CLR B 2 . ? 18.946 35.226 12.549 1.00 35.11 ? 575 CLR A H181 1 HETATM 2564 H H182 . CLR B 2 . ? 19.058 35.808 10.934 1.00 33.51 ? 575 CLR A H182 1 HETATM 2565 H H183 . CLR B 2 . ? 18.135 36.698 12.115 1.00 35.71 ? 575 CLR A H183 1 HETATM 2566 H H191 . CLR B 2 . ? 17.883 33.721 17.148 1.00 35.05 ? 575 CLR A H191 1 HETATM 2567 H H192 . CLR B 2 . ? 18.484 34.127 15.572 1.00 35.36 ? 575 CLR A H192 1 HETATM 2568 H H193 . CLR B 2 . ? 17.236 35.093 16.333 1.00 35.45 ? 575 CLR A H193 1 HETATM 2569 H H20 . CLR B 2 . ? 17.996 36.570 9.162 1.00 32.28 ? 575 CLR A H20 1 HETATM 2570 H H211 . CLR B 2 . ? 15.044 36.978 9.817 1.00 33.23 ? 575 CLR A H211 1 HETATM 2571 H H212 . CLR B 2 . ? 16.438 37.821 10.459 1.00 33.29 ? 575 CLR A H212 1 HETATM 2572 H H213 . CLR B 2 . ? 15.906 38.138 8.844 1.00 33.90 ? 575 CLR A H213 1 HETATM 2573 H H221 . CLR B 2 . ? 17.657 35.519 7.151 1.00 31.49 ? 575 CLR A H221 1 HETATM 2574 H H222 . CLR B 2 . ? 16.689 36.915 7.033 1.00 30.10 ? 575 CLR A H222 1 HETATM 2575 H H231 . CLR B 2 . ? 14.613 35.589 7.570 1.00 29.92 ? 575 CLR A H231 1 HETATM 2576 H H232 . CLR B 2 . ? 15.550 34.131 7.607 1.00 29.99 ? 575 CLR A H232 1 HETATM 2577 H H241 . CLR B 2 . ? 16.378 34.644 5.345 1.00 28.05 ? 575 CLR A H241 1 HETATM 2578 H H242 . CLR B 2 . ? 15.280 35.933 5.208 1.00 30.23 ? 575 CLR A H242 1 HETATM 2579 H H25 . CLR B 2 . ? 15.041 33.234 4.692 1.00 38.54 ? 575 CLR A H25 1 HETATM 2580 H H261 . CLR B 2 . ? 12.606 32.796 5.483 1.00 34.88 ? 575 CLR A H261 1 HETATM 2581 H H262 . CLR B 2 . ? 14.047 32.226 6.247 1.00 32.28 ? 575 CLR A H262 1 HETATM 2582 H H263 . CLR B 2 . ? 13.208 33.623 6.899 1.00 36.41 ? 575 CLR A H263 1 HETATM 2583 H H271 . CLR B 2 . ? 12.945 35.221 4.011 1.00 34.99 ? 575 CLR A H271 1 HETATM 2584 H H272 . CLR B 2 . ? 14.392 34.842 3.099 1.00 32.64 ? 575 CLR A H272 1 HETATM 2585 H H273 . CLR B 2 . ? 13.199 33.624 3.324 1.00 32.88 ? 575 CLR A H273 1 HETATM 2586 H H1 . CLR B 2 . ? 15.626 29.987 19.113 1.00 35.00 ? 575 CLR A H1 1 HETATM 2587 C C1 . MPD C 3 . ? -1.598 24.992 -1.018 1.00 62.11 ? 576 MPD A C1 1 HETATM 2588 C C2 . MPD C 3 . ? -1.707 26.490 -0.787 1.00 60.88 ? 576 MPD A C2 1 HETATM 2589 O O2 . MPD C 3 . ? -1.034 27.193 -1.853 1.00 59.46 ? 576 MPD A O2 1 HETATM 2590 C CM . MPD C 3 . ? -3.168 26.897 -0.857 1.00 60.29 ? 576 MPD A CM 1 HETATM 2591 C C3 . MPD C 3 . ? -1.144 26.923 0.648 1.00 61.76 ? 576 MPD A C3 1 HETATM 2592 C C4 . MPD C 3 . ? 0.404 26.835 0.969 1.00 62.72 ? 576 MPD A C4 1 HETATM 2593 O O4 . MPD C 3 . ? 0.689 27.075 2.357 1.00 60.42 ? 576 MPD A O4 1 HETATM 2594 C C5 . MPD C 3 . ? 1.040 25.524 0.582 1.00 59.32 ? 576 MPD A C5 1 HETATM 2595 H H11 . MPD C 3 . ? -1.894 24.414 -0.144 1.00 63.14 ? 576 MPD A H11 1 HETATM 2596 H H12 . MPD C 3 . ? -0.599 24.665 -1.295 1.00 61.86 ? 576 MPD A H12 1 HETATM 2597 H H13 . MPD C 3 . ? -2.271 24.679 -1.814 1.00 62.46 ? 576 MPD A H13 1 HETATM 2598 H HO2 . MPD C 3 . ? -1.035 28.160 -1.627 1.00 58.93 ? 576 MPD A HO2 1 HETATM 2599 H HM1 . MPD C 3 . ? -3.306 27.965 -0.695 1.00 60.80 ? 576 MPD A HM1 1 HETATM 2600 H HM2 . MPD C 3 . ? -3.783 26.377 -0.124 1.00 59.65 ? 576 MPD A HM2 1 HETATM 2601 H HM3 . MPD C 3 . ? -3.596 26.666 -1.831 1.00 60.12 ? 576 MPD A HM3 1 HETATM 2602 H H31 . MPD C 3 . ? -1.452 27.956 0.801 1.00 61.29 ? 576 MPD A H31 1 HETATM 2603 H H32 . MPD C 3 . ? -1.688 26.387 1.425 1.00 62.10 ? 576 MPD A H32 1 HETATM 2604 H H4 . MPD C 3 . ? 0.940 27.664 0.510 1.00 63.68 ? 576 MPD A H4 1 HETATM 2605 H HO4 . MPD C 3 . ? 1.624 27.399 2.438 1.00 60.01 ? 576 MPD A HO4 1 HETATM 2606 H H51 . MPD C 3 . ? 0.400 24.662 0.762 1.00 59.30 ? 576 MPD A H51 1 HETATM 2607 H H52 . MPD C 3 . ? 1.357 25.504 -0.459 1.00 59.14 ? 576 MPD A H52 1 HETATM 2608 H H53 . MPD C 3 . ? 1.937 25.361 1.174 1.00 59.05 ? 576 MPD A H53 1 HETATM 2609 C C1 . MPD D 3 . ? 5.444 24.410 13.784 1.00 60.00 ? 577 MPD A C1 1 HETATM 2610 C C2 . MPD D 3 . ? 6.508 25.421 13.579 1.00 62.63 ? 577 MPD A C2 1 HETATM 2611 O O2 . MPD D 3 . ? 7.508 25.139 14.579 1.00 69.72 ? 577 MPD A O2 1 HETATM 2612 C CM . MPD D 3 . ? 7.128 25.238 12.214 1.00 58.77 ? 577 MPD A CM 1 HETATM 2613 C C3 . MPD D 3 . ? 5.947 26.887 13.663 1.00 67.30 ? 577 MPD A C3 1 HETATM 2614 C C4 . MPD D 3 . ? 5.107 27.352 14.950 1.00 68.62 ? 577 MPD A C4 1 HETATM 2615 O O4 . MPD D 3 . ? 3.933 26.559 15.182 1.00 67.78 ? 577 MPD A O4 1 HETATM 2616 C C5 . MPD D 3 . ? 5.915 27.428 16.230 1.00 67.23 ? 577 MPD A C5 1 HETATM 2617 H H11 . MPD D 3 . ? 4.607 24.560 13.108 1.00 60.00 ? 577 MPD A H11 1 HETATM 2618 H H12 . MPD D 3 . ? 5.065 24.446 14.800 1.00 59.83 ? 577 MPD A H12 1 HETATM 2619 H H13 . MPD D 3 . ? 5.828 23.407 13.611 1.00 60.75 ? 577 MPD A H13 1 HETATM 2620 H HO2 . MPD D 3 . ? 7.808 24.197 14.484 1.00 69.73 ? 577 MPD A HO2 1 HETATM 2621 H HM1 . MPD D 3 . ? 7.705 24.316 12.153 1.00 58.62 ? 577 MPD A HM1 1 HETATM 2622 H HM2 . MPD D 3 . ? 6.388 25.175 11.419 1.00 58.51 ? 577 MPD A HM2 1 HETATM 2623 H HM3 . MPD D 3 . ? 7.798 26.057 11.957 1.00 59.38 ? 577 MPD A HM3 1 HETATM 2624 H H31 . MPD D 3 . ? 6.799 27.554 13.545 1.00 67.70 ? 577 MPD A H31 1 HETATM 2625 H H32 . MPD D 3 . ? 5.366 27.091 12.766 1.00 67.04 ? 577 MPD A H32 1 HETATM 2626 H H4 . MPD D 3 . ? 4.650 28.322 14.758 1.00 68.04 ? 577 MPD A H4 1 HETATM 2627 H HO4 . MPD D 3 . ? 3.532 26.313 14.308 1.00 67.39 ? 577 MPD A HO4 1 HETATM 2628 H H51 . MPD D 3 . ? 6.312 26.466 16.547 1.00 66.58 ? 577 MPD A H51 1 HETATM 2629 H H52 . MPD D 3 . ? 6.757 28.113 16.142 1.00 67.32 ? 577 MPD A H52 1 HETATM 2630 H H53 . MPD D 3 . ? 5.315 27.798 17.060 1.00 67.04 ? 577 MPD A H53 1 HETATM 2631 N N1 . IMD E 4 . ? -0.364 36.792 18.014 1.00 107.61 ? 579 IMD A N1 1 HETATM 2632 C C2 . IMD E 4 . ? 0.521 35.945 17.531 1.00 108.23 ? 579 IMD A C2 1 HETATM 2633 N N3 . IMD E 4 . ? 1.125 35.351 18.540 1.00 108.00 ? 579 IMD A N3 1 HETATM 2634 C C4 . IMD E 4 . ? 0.611 35.840 19.704 1.00 107.03 ? 579 IMD A C4 1 HETATM 2635 C C5 . IMD E 4 . ? -0.319 36.743 19.375 1.00 106.94 ? 579 IMD A C5 1 HETATM 2636 H HN1 . IMD E 4 . ? -0.984 37.383 17.470 1.00 107.47 ? 579 IMD A HN1 1 HETATM 2637 H H2 . IMD E 4 . ? 0.725 35.768 16.475 1.00 108.16 ? 579 IMD A H2 1 HETATM 2638 H HN3 . IMD E 4 . ? 1.851 34.646 18.470 1.00 108.02 ? 579 IMD A HN3 1 HETATM 2639 H H4 . IMD E 4 . ? 0.937 35.510 20.689 1.00 106.86 ? 579 IMD A H4 1 HETATM 2640 H H5 . IMD E 4 . ? -0.948 37.356 20.019 1.00 106.88 ? 579 IMD A H5 1 HETATM 2641 N N1 . IMD F 4 . ? 1.940 40.495 32.489 1.00 104.21 ? 582 IMD A N1 1 HETATM 2642 C C2 . IMD F 4 . ? 2.594 40.163 33.585 1.00 105.28 ? 582 IMD A C2 1 HETATM 2643 N N3 . IMD F 4 . ? 3.758 39.654 33.238 1.00 105.23 ? 582 IMD A N3 1 HETATM 2644 C C4 . IMD F 4 . ? 3.849 39.661 31.879 1.00 104.24 ? 582 IMD A C4 1 HETATM 2645 C C5 . IMD F 4 . ? 2.711 40.187 31.411 1.00 103.16 ? 582 IMD A C5 1 HETATM 2646 H HN1 . IMD F 4 . ? 1.016 40.913 32.448 1.00 104.21 ? 582 IMD A HN1 1 HETATM 2647 H H2 . IMD F 4 . ? 2.230 40.284 34.605 1.00 105.23 ? 582 IMD A H2 1 HETATM 2648 H HN3 . IMD F 4 . ? 4.474 39.314 33.872 1.00 105.08 ? 582 IMD A HN3 1 HETATM 2649 H H4 . IMD F 4 . ? 4.716 39.290 31.334 1.00 104.20 ? 582 IMD A H4 1 HETATM 2650 H H5 . IMD F 4 . ? 2.397 40.363 30.384 1.00 103.09 ? 582 IMD A H5 1 HETATM 2651 C C1 . MPD G 3 . ? -4.065 25.533 13.363 1.00 99.82 ? 586 MPD A C1 1 HETATM 2652 C C2 . MPD G 3 . ? -3.504 25.703 11.954 1.00 100.28 ? 586 MPD A C2 1 HETATM 2653 O O2 . MPD G 3 . ? -2.176 26.250 12.072 1.00 99.47 ? 586 MPD A O2 1 HETATM 2654 C CM . MPD G 3 . ? -4.341 26.699 11.163 1.00 101.02 ? 586 MPD A CM 1 HETATM 2655 C C3 . MPD G 3 . ? -3.498 24.319 11.248 1.00 100.68 ? 586 MPD A C3 1 HETATM 2656 C C4 . MPD G 3 . ? -2.632 24.230 9.965 1.00 101.06 ? 586 MPD A C4 1 HETATM 2657 O O4 . MPD G 3 . ? -1.949 22.971 9.964 1.00 101.60 ? 586 MPD A O4 1 HETATM 2658 C C5 . MPD G 3 . ? -3.475 24.344 8.715 1.00 100.76 ? 586 MPD A C5 1 HETATM 2659 H H11 . MPD G 3 . ? -3.999 26.457 13.937 1.00 99.74 ? 586 MPD A H11 1 HETATM 2660 H H12 . MPD G 3 . ? -5.117 25.249 13.366 1.00 99.70 ? 586 MPD A H12 1 HETATM 2661 H H13 . MPD G 3 . ? -3.535 24.771 13.931 1.00 99.78 ? 586 MPD A H13 1 HETATM 2662 H HO2 . MPD G 3 . ? -1.593 25.541 12.450 1.00 99.46 ? 586 MPD A HO2 1 HETATM 2663 H HM1 . MPD G 3 . ? -4.561 27.581 11.762 1.00 101.03 ? 586 MPD A HM1 1 HETATM 2664 H HM2 . MPD G 3 . ? -3.832 27.035 10.262 1.00 101.16 ? 586 MPD A HM2 1 HETATM 2665 H HM3 . MPD G 3 . ? -5.308 26.296 10.865 1.00 101.06 ? 586 MPD A HM3 1 HETATM 2666 H H31 . MPD G 3 . ? -3.156 23.574 11.964 1.00 100.73 ? 586 MPD A H31 1 HETATM 2667 H H32 . MPD G 3 . ? -4.518 24.009 11.025 1.00 100.78 ? 586 MPD A H32 1 HETATM 2668 H H4 . MPD G 3 . ? -1.801 24.933 9.950 1.00 100.91 ? 586 MPD A H4 1 HETATM 2669 H HO4 . MPD G 3 . ? -1.388 22.919 9.147 1.00 101.65 ? 586 MPD A HO4 1 HETATM 2670 H H51 . MPD G 3 . ? -4.219 23.553 8.636 1.00 100.83 ? 586 MPD A H51 1 HETATM 2671 H H52 . MPD G 3 . ? -4.012 25.291 8.670 1.00 100.72 ? 586 MPD A H52 1 HETATM 2672 H H53 . MPD G 3 . ? -2.868 24.292 7.813 1.00 100.77 ? 586 MPD A H53 1 HETATM 2673 C C1 . MPD H 3 . ? 13.996 48.324 6.985 1.00 104.45 ? 587 MPD A C1 1 HETATM 2674 C C2 . MPD H 3 . ? 14.256 47.723 5.608 1.00 104.20 ? 587 MPD A C2 1 HETATM 2675 O O2 . MPD H 3 . ? 14.153 48.778 4.633 1.00 104.95 ? 587 MPD A O2 1 HETATM 2676 C CM . MPD H 3 . ? 13.173 46.721 5.256 1.00 102.57 ? 587 MPD A CM 1 HETATM 2677 C C3 . MPD H 3 . ? 15.656 47.027 5.581 1.00 105.09 ? 587 MPD A C3 1 HETATM 2678 C C4 . MPD H 3 . ? 16.873 47.996 5.482 1.00 106.36 ? 587 MPD A C4 1 HETATM 2679 O O4 . MPD H 3 . ? 17.972 47.541 6.283 1.00 106.03 ? 587 MPD A O4 1 HETATM 2680 C C5 . MPD H 3 . ? 17.332 48.145 4.051 1.00 107.15 ? 587 MPD A C5 1 HETATM 2681 H H11 . MPD H 3 . ? 13.108 48.955 6.983 1.00 104.42 ? 587 MPD A H11 1 HETATM 2682 H H12 . MPD H 3 . ? 13.822 47.567 7.748 1.00 104.50 ? 587 MPD A H12 1 HETATM 2683 H H13 . MPD H 3 . ? 14.823 48.944 7.329 1.00 104.47 ? 587 MPD A H13 1 HETATM 2684 H HO2 . MPD H 3 . ? 14.580 49.596 5.001 1.00 104.99 ? 587 MPD A HO2 1 HETATM 2685 H HM1 . MPD H 3 . ? 12.200 47.064 5.603 1.00 102.60 ? 587 MPD A HM1 1 HETATM 2686 H HM2 . MPD H 3 . ? 13.093 46.583 4.180 1.00 102.41 ? 587 MPD A HM2 1 HETATM 2687 H HM3 . MPD H 3 . ? 13.330 45.746 5.715 1.00 102.50 ? 587 MPD A HM3 1 HETATM 2688 H H31 . MPD H 3 . ? 15.744 46.415 6.478 1.00 105.14 ? 587 MPD A H31 1 HETATM 2689 H H32 . MPD H 3 . ? 15.702 46.299 4.772 1.00 104.93 ? 587 MPD A H32 1 HETATM 2690 H H4 . MPD H 3 . ? 16.670 48.967 5.931 1.00 106.36 ? 587 MPD A H4 1 HETATM 2691 H HO4 . MPD H 3 . ? 18.691 48.226 6.253 1.00 105.91 ? 587 MPD A HO4 1 HETATM 2692 H H51 . MPD H 3 . ? 17.780 47.234 3.659 1.00 107.04 ? 587 MPD A H51 1 HETATM 2693 H H52 . MPD H 3 . ? 16.515 48.418 3.385 1.00 107.23 ? 587 MPD A H52 1 HETATM 2694 H H53 . MPD H 3 . ? 18.085 48.925 3.949 1.00 107.37 ? 587 MPD A H53 1 HETATM 2695 N N1 . IMD I 4 . ? 24.102 46.029 13.817 1.00 109.44 ? 589 IMD A N1 1 HETATM 2696 C C2 . IMD I 4 . ? 25.072 45.454 14.498 1.00 109.22 ? 589 IMD A C2 1 HETATM 2697 N N3 . IMD I 4 . ? 25.380 46.227 15.519 1.00 109.47 ? 589 IMD A N3 1 HETATM 2698 C C4 . IMD I 4 . ? 24.578 47.328 15.490 1.00 109.11 ? 589 IMD A C4 1 HETATM 2699 C C5 . IMD I 4 . ? 23.777 47.203 14.425 1.00 108.92 ? 589 IMD A C5 1 HETATM 2700 H HN1 . IMD I 4 . ? 23.664 45.664 12.977 1.00 109.38 ? 589 IMD A HN1 1 HETATM 2701 H H2 . IMD I 4 . ? 25.535 44.496 14.261 1.00 109.09 ? 589 IMD A H2 1 HETATM 2702 H HN3 . IMD I 4 . ? 26.094 46.040 16.216 1.00 109.58 ? 589 IMD A HN3 1 HETATM 2703 H H4 . IMD I 4 . ? 24.627 48.124 16.230 1.00 108.94 ? 589 IMD A H4 1 HETATM 2704 H H5 . IMD I 4 . ? 22.992 47.866 14.067 1.00 108.63 ? 589 IMD A H5 1 HETATM 2705 C C1 . NAG J 5 . ? 7.402 48.078 1.130 1.00 88.99 ? 1035 NAG A C1 1 HETATM 2706 C C2 . NAG J 5 . ? 6.831 49.477 0.905 1.00 92.62 ? 1035 NAG A C2 1 HETATM 2707 C C3 . NAG J 5 . ? 7.799 50.482 1.526 1.00 95.83 ? 1035 NAG A C3 1 HETATM 2708 C C4 . NAG J 5 . ? 7.911 50.217 3.024 1.00 96.67 ? 1035 NAG A C4 1 HETATM 2709 C C5 . NAG J 5 . ? 8.267 48.751 3.281 1.00 95.41 ? 1035 NAG A C5 1 HETATM 2710 C C6 . NAG J 5 . ? 8.183 48.366 4.744 1.00 94.64 ? 1035 NAG A C6 1 HETATM 2711 C C7 . NAG J 5 . ? 7.386 49.613 -1.518 1.00 90.71 ? 1035 NAG A C7 1 HETATM 2712 C C8 . NAG J 5 . ? 6.746 49.546 -2.872 1.00 87.35 ? 1035 NAG A C8 1 HETATM 2713 N N2 . NAG J 5 . ? 6.544 49.803 -0.487 1.00 91.72 ? 1035 NAG A N2 1 HETATM 2714 O O3 . NAG J 5 . ? 7.327 51.808 1.311 1.00 96.89 ? 1035 NAG A O3 1 HETATM 2715 O O4 . NAG J 5 . ? 8.902 51.057 3.607 1.00 98.13 ? 1035 NAG A O4 1 HETATM 2716 O O5 . NAG J 5 . ? 7.378 47.877 2.553 1.00 92.23 ? 1035 NAG A O5 1 HETATM 2717 O O6 . NAG J 5 . ? 6.966 48.786 5.349 1.00 94.53 ? 1035 NAG A O6 1 HETATM 2718 O O7 . NAG J 5 . ? 8.601 49.498 -1.366 1.00 93.05 ? 1035 NAG A O7 1 HETATM 2719 H H2 . NAG J 5 . ? 5.897 49.554 1.461 1.00 92.79 ? 1035 NAG A H2 1 HETATM 2720 H H3 . NAG J 5 . ? 8.791 50.396 1.084 1.00 96.05 ? 1035 NAG A H3 1 HETATM 2721 H H4 . NAG J 5 . ? 6.942 50.444 3.465 1.00 96.68 ? 1035 NAG A H4 1 HETATM 2722 H H5 . NAG J 5 . ? 9.291 48.575 2.955 1.00 95.43 ? 1035 NAG A H5 1 HETATM 2723 H H61 . NAG J 5 . ? 8.345 47.300 4.896 1.00 94.63 ? 1035 NAG A H61 1 HETATM 2724 H H62 . NAG J 5 . ? 8.946 48.893 5.315 1.00 94.34 ? 1035 NAG A H62 1 HETATM 2725 H H81 . NAG J 5 . ? 6.103 48.672 -2.964 1.00 87.27 ? 1035 NAG A H81 1 HETATM 2726 H H82 . NAG J 5 . ? 6.096 50.406 -3.027 1.00 87.45 ? 1035 NAG A H82 1 HETATM 2727 H H83 . NAG J 5 . ? 7.445 49.535 -3.705 1.00 86.96 ? 1035 NAG A H83 1 HETATM 2728 H HN2 . NAG J 5 . ? 5.626 50.199 -0.660 1.00 91.62 ? 1035 NAG A HN2 1 HETATM 2729 H HO3 . NAG J 5 . ? 8.047 52.408 1.637 1.00 96.89 ? 1035 NAG A HO3 1 HETATM 2730 H HO4 . NAG J 5 . ? 8.578 51.265 4.523 1.00 98.13 ? 1035 NAG A HO4 1 HETATM 2731 H HO6 . NAG J 5 . ? 7.064 48.669 6.330 1.00 94.49 ? 1035 NAG A HO6 1 HETATM 2732 C C1 . NAG K 5 . ? 13.233 13.835 12.722 1.00 42.72 ? 1131 NAG A C1 1 HETATM 2733 C C2 . NAG K 5 . ? 12.171 12.979 13.412 1.00 48.48 ? 1131 NAG A C2 1 HETATM 2734 C C3 . NAG K 5 . ? 12.600 12.783 14.866 1.00 50.45 ? 1131 NAG A C3 1 HETATM 2735 C C4 . NAG K 5 . ? 13.993 12.165 14.920 1.00 51.83 ? 1131 NAG A C4 1 HETATM 2736 C C5 . NAG K 5 . ? 14.971 13.053 14.156 1.00 46.48 ? 1131 NAG A C5 1 HETATM 2737 C C6 . NAG K 5 . ? 16.372 12.502 14.086 1.00 46.99 ? 1131 NAG A C6 1 HETATM 2738 C C7 . NAG K 5 . ? 9.967 13.391 12.356 1.00 63.01 ? 1131 NAG A C7 1 HETATM 2739 C C8 . NAG K 5 . ? 8.814 14.347 12.291 1.00 67.52 ? 1131 NAG A C8 1 HETATM 2740 N N2 . NAG K 5 . ? 10.865 13.618 13.342 1.00 54.34 ? 1131 NAG A N2 1 HETATM 2741 O O3 . NAG K 5 . ? 11.647 11.946 15.507 1.00 55.39 ? 1131 NAG A O3 1 HETATM 2742 O O4 . NAG K 5 . ? 14.433 12.029 16.270 1.00 57.12 ? 1131 NAG A O4 1 HETATM 2743 O O5 . NAG K 5 . ? 14.517 13.225 12.804 1.00 41.90 ? 1131 NAG A O5 1 HETATM 2744 O O6 . NAG K 5 . ? 16.376 11.108 13.791 1.00 49.70 ? 1131 NAG A O6 1 HETATM 2745 O O7 . NAG K 5 . ? 10.109 12.490 11.528 1.00 65.75 ? 1131 NAG A O7 1 HETATM 2746 H H2 . NAG K 5 . ? 12.140 11.994 12.949 1.00 48.50 ? 1131 NAG A H2 1 HETATM 2747 H H3 . NAG K 5 . ? 12.620 13.736 15.391 1.00 50.23 ? 1131 NAG A H3 1 HETATM 2748 H H4 . NAG K 5 . ? 13.933 11.203 14.413 1.00 51.99 ? 1131 NAG A H4 1 HETATM 2749 H H5 . NAG K 5 . ? 15.021 14.019 14.655 1.00 47.03 ? 1131 NAG A H5 1 HETATM 2750 H H61 . NAG K 5 . ? 16.975 13.051 13.365 1.00 47.05 ? 1131 NAG A H61 1 HETATM 2751 H H62 . NAG K 5 . ? 16.851 12.608 15.059 1.00 47.06 ? 1131 NAG A H62 1 HETATM 2752 H H81 . NAG K 5 . ? 8.194 14.291 13.184 1.00 67.82 ? 1131 NAG A H81 1 HETATM 2753 H H82 . NAG K 5 . ? 9.169 15.376 12.238 1.00 67.59 ? 1131 NAG A H82 1 HETATM 2754 H H83 . NAG K 5 . ? 8.174 14.193 11.423 1.00 67.77 ? 1131 NAG A H83 1 HETATM 2755 H HN2 . NAG K 5 . ? 10.654 14.280 14.082 1.00 53.76 ? 1131 NAG A HN2 1 HETATM 2756 H HO3 . NAG K 5 . ? 12.028 11.034 15.603 1.00 55.56 ? 1131 NAG A HO3 1 HETATM 2757 C C1 . FUC L 6 . ? 17.595 10.456 14.053 1.00 53.74 ? 1132 FUC A C1 1 HETATM 2758 C C2 . FUC L 6 . ? 17.382 8.940 13.876 1.00 56.40 ? 1132 FUC A C2 1 HETATM 2759 C C3 . FUC L 6 . ? 17.136 8.602 12.409 1.00 56.50 ? 1132 FUC A C3 1 HETATM 2760 C C4 . FUC L 6 . ? 18.255 9.148 11.527 1.00 56.10 ? 1132 FUC A C4 1 HETATM 2761 C C5 . FUC L 6 . ? 18.365 10.657 11.746 1.00 53.60 ? 1132 FUC A C5 1 HETATM 2762 C C6 . FUC L 6 . ? 19.489 11.302 10.969 1.00 51.67 ? 1132 FUC A C6 1 HETATM 2763 O O2 . FUC L 6 . ? 16.289 8.495 14.674 1.00 57.31 ? 1132 FUC A O2 1 HETATM 2764 O O3 . FUC L 6 . ? 17.035 7.194 12.239 1.00 56.95 ? 1132 FUC A O3 1 HETATM 2765 O O4 . FUC L 6 . ? 19.478 8.493 11.855 1.00 57.13 ? 1132 FUC A O4 1 HETATM 2766 O O5 . FUC L 6 . ? 18.604 10.920 13.144 1.00 53.58 ? 1132 FUC A O5 1 HETATM 2767 H H2 . FUC L 6 . ? 18.287 8.438 14.215 1.00 56.22 ? 1132 FUC A H2 1 HETATM 2768 H H3 . FUC L 6 . ? 16.194 9.055 12.100 1.00 56.68 ? 1132 FUC A H3 1 HETATM 2769 H H4 . FUC L 6 . ? 18.002 8.959 10.485 1.00 56.11 ? 1132 FUC A H4 1 HETATM 2770 H H5 . FUC L 6 . ? 17.432 11.110 11.415 1.00 53.83 ? 1132 FUC A H5 1 HETATM 2771 H H61 . FUC L 6 . ? 20.458 10.927 11.288 1.00 51.64 ? 1132 FUC A H61 1 HETATM 2772 H H62 . FUC L 6 . ? 19.395 11.171 9.892 1.00 51.72 ? 1132 FUC A H62 1 HETATM 2773 H H63 . FUC L 6 . ? 19.520 12.380 11.123 1.00 51.19 ? 1132 FUC A H63 1 HETATM 2774 H HO2 . FUC L 6 . ? 16.263 7.506 14.590 1.00 57.58 ? 1132 FUC A HO2 1 HETATM 2775 H HO3 . FUC L 6 . ? 16.732 7.046 11.304 1.00 56.88 ? 1132 FUC A HO3 1 HETATM 2776 H HO4 . FUC L 6 . ? 19.928 9.014 12.571 1.00 57.58 ? 1132 FUC A HO4 1 HETATM 2777 C C1 . NAG M 5 . ? 14.838 10.745 16.735 1.00 62.09 ? 1133 NAG A C1 1 HETATM 2778 C C2 . NAG M 5 . ? 15.637 10.936 18.020 1.00 66.23 ? 1133 NAG A C2 1 HETATM 2779 C C3 . NAG M 5 . ? 16.011 9.580 18.620 1.00 72.61 ? 1133 NAG A C3 1 HETATM 2780 C C4 . NAG M 5 . ? 14.765 8.722 18.819 1.00 79.18 ? 1133 NAG A C4 1 HETATM 2781 C C5 . NAG M 5 . ? 14.026 8.603 17.489 1.00 73.22 ? 1133 NAG A C5 1 HETATM 2782 C C6 . NAG M 5 . ? 12.720 7.850 17.582 1.00 73.15 ? 1133 NAG A C6 1 HETATM 2783 C C7 . NAG M 5 . ? 16.958 13.013 18.089 1.00 58.86 ? 1133 NAG A C7 1 HETATM 2784 C C8 . NAG M 5 . ? 18.340 13.580 17.988 1.00 58.65 ? 1133 NAG A C8 1 HETATM 2785 N N2 . NAG M 5 . ? 16.833 11.724 17.758 1.00 62.10 ? 1133 NAG A N2 1 HETATM 2786 O O3 . NAG M 5 . ? 16.670 9.796 19.863 1.00 72.79 ? 1133 NAG A O3 1 HETATM 2787 O O4 . NAG M 5 . ? 15.129 7.426 19.299 1.00 92.48 ? 1133 NAG A O4 1 HETATM 2788 O O5 . NAG M 5 . ? 13.706 9.914 16.994 1.00 66.61 ? 1133 NAG A O5 1 HETATM 2789 O O6 . NAG M 5 . ? 11.723 8.627 18.224 1.00 76.56 ? 1133 NAG A O6 1 HETATM 2790 O O7 . NAG M 5 . ? 16.003 13.690 18.453 1.00 59.04 ? 1133 NAG A O7 1 HETATM 2791 H H2 . NAG M 5 . ? 15.001 11.442 18.745 1.00 66.37 ? 1133 NAG A H2 1 HETATM 2792 H H3 . NAG M 5 . ? 16.689 9.055 17.949 1.00 72.92 ? 1133 NAG A H3 1 HETATM 2793 H H4 . NAG M 5 . ? 14.109 9.234 19.522 1.00 79.12 ? 1133 NAG A H4 1 HETATM 2794 H H5 . NAG M 5 . ? 14.660 8.083 16.771 1.00 73.45 ? 1133 NAG A H5 1 HETATM 2795 H H61 . NAG M 5 . ? 12.377 7.511 16.605 1.00 72.76 ? 1133 NAG A H61 1 HETATM 2796 H H62 . NAG M 5 . ? 12.818 6.972 18.218 1.00 73.23 ? 1133 NAG A H62 1 HETATM 2797 H H81 . NAG M 5 . ? 19.068 12.935 18.478 1.00 58.94 ? 1133 NAG A H81 1 HETATM 2798 H H82 . NAG M 5 . ? 18.654 13.640 16.947 1.00 58.97 ? 1133 NAG A H82 1 HETATM 2799 H H83 . NAG M 5 . ? 18.434 14.580 18.409 1.00 58.08 ? 1133 NAG A H83 1 HETATM 2800 H HN2 . NAG M 5 . ? 17.594 11.238 17.293 1.00 61.95 ? 1133 NAG A HN2 1 HETATM 2801 H HO3 . NAG M 5 . ? 17.641 9.701 19.677 1.00 72.62 ? 1133 NAG A HO3 1 HETATM 2802 H HO6 . NAG M 5 . ? 11.587 9.447 17.680 1.00 76.85 ? 1133 NAG A HO6 1 HETATM 2803 C C1 . MAN N 7 . ? 15.099 7.186 20.706 1.00 103.11 ? 1134 MAN A C1 1 HETATM 2804 C C2 . MAN N 7 . ? 16.484 6.735 21.194 1.00 107.39 ? 1134 MAN A C2 1 HETATM 2805 C C3 . MAN N 7 . ? 16.738 5.261 20.895 1.00 111.79 ? 1134 MAN A C3 1 HETATM 2806 C C4 . MAN N 7 . ? 15.596 4.394 21.409 1.00 112.29 ? 1134 MAN A C4 1 HETATM 2807 C C5 . MAN N 7 . ? 14.277 4.869 20.804 1.00 110.99 ? 1134 MAN A C5 1 HETATM 2808 C C6 . MAN N 7 . ? 13.075 4.136 21.361 1.00 111.35 ? 1134 MAN A C6 1 HETATM 2809 O O2 . MAN N 7 . ? 16.617 6.991 22.589 1.00 107.06 ? 1134 MAN A O2 1 HETATM 2810 O O3 . MAN N 7 . ? 17.970 4.847 21.483 1.00 113.84 ? 1134 MAN A O3 1 HETATM 2811 O O4 . MAN N 7 . ? 15.832 3.033 21.061 1.00 113.15 ? 1134 MAN A O4 1 HETATM 2812 O O5 . MAN N 7 . ? 14.072 6.261 21.106 1.00 107.92 ? 1134 MAN A O5 1 HETATM 2813 O O6 . MAN N 7 . ? 13.162 2.725 21.182 1.00 110.96 ? 1134 MAN A O6 1 HETATM 2814 H H2 . MAN N 7 . ? 17.242 7.313 20.667 1.00 107.29 ? 1134 MAN A H2 1 HETATM 2815 H H3 . MAN N 7 . ? 16.900 5.114 19.828 1.00 111.87 ? 1134 MAN A H3 1 HETATM 2816 H H4 . MAN N 7 . ? 15.544 4.463 22.495 1.00 112.30 ? 1134 MAN A H4 1 HETATM 2817 H H5 . MAN N 7 . ? 14.293 4.726 19.724 1.00 110.97 ? 1134 MAN A H5 1 HETATM 2818 H H61 . MAN N 7 . ? 13.002 4.253 22.442 1.00 111.32 ? 1134 MAN A H61 1 HETATM 2819 H H62 . MAN N 7 . ? 12.151 4.527 20.936 1.00 111.50 ? 1134 MAN A H62 1 HETATM 2820 H HO2 . MAN N 7 . ? 17.552 6.762 22.836 1.00 107.02 ? 1134 MAN A HO2 1 HETATM 2821 H HO3 . MAN N 7 . ? 18.076 3.861 21.437 1.00 113.88 ? 1134 MAN A HO3 1 HETATM 2822 H HO4 . MAN N 7 . ? 15.306 2.467 21.685 1.00 113.14 ? 1134 MAN A HO4 1 HETATM 2823 H HO6 . MAN N 7 . ? 12.370 2.311 21.615 1.00 110.94 ? 1134 MAN A HO6 1 HETATM 2824 O O . HOH O 8 . ? 7.698 24.773 -12.949 1.00 43.09 ? 2001 HOH A O 1 HETATM 2825 O O . HOH O 8 . ? 7.069 26.452 -9.739 1.00 37.29 ? 2002 HOH A O 1 HETATM 2826 O O . HOH O 8 . ? 10.708 28.025 -10.870 1.00 57.57 ? 2003 HOH A O 1 HETATM 2827 O O . HOH O 8 . ? 7.757 28.760 -2.903 1.00 38.34 ? 2004 HOH A O 1 HETATM 2828 O O . HOH O 8 . ? 7.071 31.830 0.599 1.00 36.63 ? 2005 HOH A O 1 HETATM 2829 O O . HOH O 8 . ? 10.109 37.700 -6.353 1.00 55.88 ? 2006 HOH A O 1 HETATM 2830 O O . HOH O 8 . ? 6.169 29.419 -0.975 1.00 52.69 ? 2007 HOH A O 1 HETATM 2831 O O . HOH O 8 . ? 3.234 36.092 3.363 1.00 30.38 ? 2008 HOH A O 1 HETATM 2832 O O . HOH O 8 . ? 1.106 32.736 3.643 1.00 48.92 ? 2009 HOH A O 1 HETATM 2833 O O . HOH O 8 . ? 2.526 29.607 4.610 1.00 31.54 ? 2010 HOH A O 1 HETATM 2834 O O . HOH O 8 . ? 0.548 30.464 -2.322 1.00 47.42 ? 2011 HOH A O 1 HETATM 2835 O O . HOH O 8 . ? 0.495 30.988 6.282 1.00 43.15 ? 2012 HOH A O 1 HETATM 2836 O O . HOH O 8 . ? 8.464 29.370 14.454 1.00 32.29 ? 2013 HOH A O 1 HETATM 2837 O O . HOH O 8 . ? 13.717 28.024 19.343 1.00 55.09 ? 2014 HOH A O 1 HETATM 2838 O O . HOH O 8 . ? 24.957 25.031 17.219 1.00 46.32 ? 2015 HOH A O 1 HETATM 2839 O O . HOH O 8 . ? 21.103 34.039 16.879 1.00 50.18 ? 2016 HOH A O 1 HETATM 2840 O O . HOH O 8 . ? 19.622 33.744 24.661 1.00 60.06 ? 2017 HOH A O 1 HETATM 2841 O O . HOH O 8 . ? 13.657 30.544 20.884 1.00 53.47 ? 2018 HOH A O 1 HETATM 2842 O O . HOH O 8 . ? 16.450 36.758 24.599 1.00 62.45 ? 2019 HOH A O 1 HETATM 2843 O O . HOH O 8 . ? 12.646 30.329 25.826 1.00 64.64 ? 2020 HOH A O 1 HETATM 2844 O O . HOH O 8 . ? 15.479 22.386 -15.330 1.00 61.02 ? 2021 HOH A O 1 HETATM 2845 O O . HOH O 8 . ? 11.879 29.962 18.174 1.00 62.34 ? 2022 HOH A O 1 HETATM 2846 O O . HOH O 8 . ? 7.732 28.971 19.097 1.00 45.98 ? 2023 HOH A O 1 HETATM 2847 O O . HOH O 8 . ? 9.518 29.870 16.801 1.00 38.93 ? 2024 HOH A O 1 HETATM 2848 O O . HOH O 8 . ? 3.724 41.232 8.883 1.00 38.17 ? 2025 HOH A O 1 HETATM 2849 O O . HOH O 8 . ? 12.677 38.316 -7.069 1.00 64.94 ? 2026 HOH A O 1 HETATM 2850 O O . HOH O 8 . ? 11.909 45.651 -1.568 1.00 55.96 ? 2027 HOH A O 1 HETATM 2851 O O . HOH O 8 . ? 15.346 38.491 -5.880 1.00 39.37 ? 2028 HOH A O 1 HETATM 2852 O O . HOH O 8 . ? 5.854 39.844 22.431 1.00 31.07 ? 2029 HOH A O 1 HETATM 2853 O O . HOH O 8 . ? 6.883 36.968 32.126 1.00 55.48 ? 2030 HOH A O 1 HETATM 2854 O O . HOH O 8 . ? 3.673 44.155 26.390 1.00 35.13 ? 2031 HOH A O 1 HETATM 2855 O O . HOH O 8 . ? -2.590 40.804 31.074 1.00 67.24 ? 2032 HOH A O 1 HETATM 2856 O O . HOH O 8 . ? -0.908 42.882 32.983 1.00 63.56 ? 2033 HOH A O 1 HETATM 2857 O O . HOH O 8 . ? -1.388 44.887 20.672 1.00 51.58 ? 2034 HOH A O 1 HETATM 2858 O O . HOH O 8 . ? 7.476 44.739 9.909 1.00 52.97 ? 2035 HOH A O 1 HETATM 2859 O O . HOH O 8 . ? 16.955 38.694 -8.674 1.00 63.61 ? 2036 HOH A O 1 HETATM 2860 O O . HOH O 8 . ? 21.620 35.705 -4.929 1.00 44.06 ? 2037 HOH A O 1 HETATM 2861 O O . HOH O 8 . ? 16.962 23.142 -12.983 1.00 48.63 ? 2038 HOH A O 1 HETATM 2862 O O . HOH O 8 . ? 18.110 25.551 -15.931 1.00 46.36 ? 2039 HOH A O 1 HETATM 2863 O O . HOH O 8 . ? 20.110 27.687 -4.985 1.00 38.31 ? 2040 HOH A O 1 HETATM 2864 O O . HOH O 8 . ? 23.419 41.970 1.552 1.00 62.79 ? 2041 HOH A O 1 HETATM 2865 O O . HOH O 8 . ? 21.711 42.128 6.639 1.00 45.05 ? 2042 HOH A O 1 HETATM 2866 O O . HOH O 8 . ? 21.150 46.207 5.992 1.00 54.25 ? 2043 HOH A O 1 HETATM 2867 O O . HOH O 8 . ? 23.962 40.702 12.831 1.00 41.07 ? 2044 HOH A O 1 HETATM 2868 O O . HOH O 8 . ? 25.375 44.726 11.039 1.00 57.35 ? 2045 HOH A O 1 HETATM 2869 O O . HOH O 8 . ? 19.487 49.181 7.936 1.00 61.32 ? 2046 HOH A O 1 HETATM 2870 O O . HOH O 8 . ? 24.389 43.528 19.007 1.00 68.49 ? 2047 HOH A O 1 HETATM 2871 O O . HOH O 8 . ? 23.226 49.073 19.318 1.00 51.90 ? 2048 HOH A O 1 HETATM 2872 O O . HOH O 8 . ? 20.989 34.694 14.249 1.00 46.38 ? 2049 HOH A O 1 HETATM 2873 O O . HOH O 8 . ? 21.879 34.275 11.671 1.00 39.43 ? 2050 HOH A O 1 HETATM 2874 O O . HOH O 8 . ? 23.568 41.669 8.566 1.00 51.31 ? 2051 HOH A O 1 HETATM 2875 O O . HOH O 8 . ? 25.672 39.257 14.406 1.00 67.65 ? 2052 HOH A O 1 HETATM 2876 O O . HOH O 8 . ? 26.106 33.702 6.968 1.00 46.00 ? 2053 HOH A O 1 HETATM 2877 O O . HOH O 8 . ? 27.436 36.299 6.058 1.00 53.03 ? 2054 HOH A O 1 HETATM 2878 O O . HOH O 8 . ? 28.576 37.472 3.912 1.00 64.21 ? 2055 HOH A O 1 HETATM 2879 O O . HOH O 8 . ? 24.543 24.093 8.427 1.00 58.51 ? 2056 HOH A O 1 HETATM 2880 O O . HOH O 8 . ? 26.349 22.289 7.601 1.00 53.69 ? 2057 HOH A O 1 HETATM 2881 O O . HOH O 8 . ? 15.621 18.728 -1.328 1.00 49.80 ? 2058 HOH A O 1 HETATM 2882 O O . HOH O 8 . ? 13.363 20.566 -4.421 1.00 44.77 ? 2059 HOH A O 1 HETATM 2883 O O . HOH O 8 . ? 7.769 21.396 -0.669 1.00 47.97 ? 2060 HOH A O 1 HETATM 2884 O O . HOH O 8 . ? 3.948 27.935 -0.633 1.00 43.20 ? 2061 HOH A O 1 HETATM 2885 O O . HOH O 8 . ? 5.157 21.306 -1.515 1.00 48.98 ? 2062 HOH A O 1 HETATM 2886 O O . HOH O 8 . ? 20.425 30.305 8.941 1.00 38.92 ? 2063 HOH A O 1 HETATM 2887 O O . HOH O 8 . ? 24.006 32.660 11.410 1.00 65.40 ? 2064 HOH A O 1 HETATM 2888 O O . HOH O 8 . ? 25.560 31.991 13.544 1.00 62.72 ? 2065 HOH A O 1 HETATM 2889 O O . HOH O 8 . ? 22.622 30.513 10.536 1.00 44.81 ? 2066 HOH A O 1 HETATM 2890 O O . HOH O 8 . ? -0.135 22.186 8.144 1.00 60.79 ? 2067 HOH A O 1 HETATM 2891 O O . HOH O 8 . ? 6.588 17.779 12.667 1.00 60.15 ? 2068 HOH A O 1 HETATM 2892 O O . HOH O 8 . ? 6.604 12.163 5.310 1.00 58.44 ? 2069 HOH A O 1 HETATM 2893 O O . HOH O 8 . ? 8.756 12.279 3.270 1.00 67.37 ? 2070 HOH A O 1 HETATM 2894 O O . HOH O 8 . ? 12.707 11.756 9.532 1.00 59.71 ? 2071 HOH A O 1 HETATM 2895 O O . HOH O 8 . ? 15.122 17.095 1.419 1.00 50.83 ? 2072 HOH A O 1 HETATM 2896 O O . HOH O 8 . ? 15.962 12.899 3.058 1.00 51.79 ? 2073 HOH A O 1 HETATM 2897 O O . HOH O 8 . ? 15.255 11.975 10.466 1.00 59.69 ? 2074 HOH A O 1 HETATM 2898 O O . HOH O 8 . ? 15.876 9.635 8.986 1.00 45.97 ? 2075 HOH A O 1 HETATM 2899 O O . HOH O 8 . ? 18.566 13.053 2.712 1.00 72.40 ? 2076 HOH A O 1 HETATM 2900 O O . HOH O 8 . ? 12.312 16.433 15.490 1.00 57.49 ? 2077 HOH A O 1 HETATM 2901 O O . HOH O 8 . ? 26.903 19.400 7.369 1.00 47.09 ? 2078 HOH A O 1 HETATM 2902 O O . HOH O 8 . ? 12.761 21.417 20.844 1.00 54.98 ? 2079 HOH A O 1 HETATM 2903 O O . HOH O 8 . ? 12.935 25.531 19.825 1.00 62.89 ? 2080 HOH A O 1 HETATM 2904 O O . HOH O 8 . ? 7.221 26.346 19.648 1.00 54.88 ? 2081 HOH A O 1 HETATM 2905 O O . HOH O 8 . ? 5.841 25.577 22.512 1.00 68.34 ? 2082 HOH A O 1 HETATM 2906 O O . HOH O 8 . ? -0.379 22.916 20.317 1.00 67.79 ? 2083 HOH A O 1 HETATM 2907 O O . HOH O 8 . ? 11.283 9.533 14.111 1.00 69.73 ? 2084 HOH A O 1 HETATM 2908 O O . HOH O 8 . ? 13.186 13.691 18.575 1.00 62.92 ? 2085 HOH A O 1 HETATM 2909 O O . HOH O 8 . ? 17.319 5.428 15.681 1.00 69.66 ? 2086 HOH A O 1 HETATM 2910 O O . HOH O 8 . ? 13.803 8.228 13.574 1.00 69.68 ? 2087 HOH A O 1 HETATM 2911 O O . HOH O 8 . ? 21.375 9.439 13.795 1.00 62.08 ? 2088 HOH A O 1 HETATM 2912 O O . HOH O 8 . ? 19.239 9.847 17.148 1.00 61.78 ? 2089 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 THR 1 1 1 THR THR A . n A 1 2 PRO 2 2 2 PRO PRO A . n A 1 3 SER 3 3 3 SER SER A . n A 1 4 MET 4 4 4 MET MET A . n A 1 5 PRO 5 5 5 PRO PRO A . n A 1 6 ALA 6 6 6 ALA ALA A . n A 1 7 ILE 7 7 7 ILE ILE A . n A 1 8 ASN 8 8 8 ASN ASN A . n A 1 9 THR 9 9 9 THR THR A . n A 1 10 GLN 10 10 10 GLN GLN A . n A 1 11 THR 11 11 11 THR THR A . n A 1 12 LEU 12 12 12 LEU LEU A . n A 1 13 TYR 13 13 13 TYR TYR A . n A 1 14 LEU 14 14 14 LEU LEU A . n A 1 15 ALA 15 15 15 ALA ALA A . n A 1 16 GLY 16 16 16 GLY GLY A . n A 1 17 HIS 17 17 17 HIS HIS A . n A 1 18 SER 18 18 18 SER SER A . n A 1 19 SER 19 19 19 SER SER A . n A 1 20 LYS 20 20 20 LYS LYS A . n A 1 21 LEU 21 21 21 LEU LEU A . n A 1 22 PHE 22 22 22 PHE PHE A . n A 1 23 GLU 23 23 23 GLU GLU A . n A 1 24 ARG 24 24 24 ARG ARG A . n A 1 25 ASN 25 25 25 ASN ASN A . n A 1 26 VAL 26 26 26 VAL VAL A . n A 1 27 GLY 27 27 27 GLY GLY A . n A 1 28 CYS 28 28 28 CYS CYS A . n A 1 29 VAL 29 29 29 VAL VAL A . n A 1 30 LYS 30 30 30 LYS LYS A . n A 1 31 THR 31 31 31 THR THR A . n A 1 32 ARG 32 32 32 ARG ARG A . n A 1 33 TYR 33 33 33 TYR TYR A . n A 1 34 LEU 34 34 34 LEU LEU A . n A 1 35 ASN 35 35 35 ASN ASN A . n A 1 36 GLN 36 36 36 GLN GLN A . n A 1 37 THR 37 37 37 THR THR A . n A 1 38 GLY 38 38 38 GLY GLY A . n A 1 39 ASP 39 39 39 ASP ASP A . n A 1 40 TRP 40 40 40 TRP TRP A . n A 1 41 VAL 41 41 41 VAL VAL A . n A 1 42 THR 42 42 42 THR THR A . n A 1 43 ARG 43 43 43 ARG ARG A . n A 1 44 SER 44 44 44 SER SER A . n A 1 45 LEU 45 45 45 LEU LEU A . n A 1 46 ILE 46 46 46 ILE ILE A . n A 1 47 TYR 47 47 47 TYR TYR A . n A 1 48 VAL 48 48 48 VAL VAL A . n A 1 49 PHE 49 49 49 PHE PHE A . n A 1 50 THR 50 50 50 THR THR A . n A 1 51 PHE 51 51 51 PHE PHE A . n A 1 52 ASP 52 52 52 ASP ASP A . n A 1 53 THR 53 53 53 THR THR A . n A 1 54 GLU 54 54 54 GLU GLU A . n A 1 55 PRO 55 55 55 PRO PRO A . n A 1 56 TRP 56 56 56 TRP TRP A . n A 1 57 VAL 57 57 57 VAL VAL A . n A 1 58 THR 58 58 58 THR THR A . n A 1 59 GLN 59 59 59 GLN GLN A . n A 1 60 ALA 60 60 60 ALA ALA A . n A 1 61 GLY 61 61 61 GLY GLY A . n A 1 62 ALA 62 62 62 ALA ALA A . n A 1 63 PHE 63 63 63 PHE PHE A . n A 1 64 GLN 64 64 64 GLN GLN A . n A 1 65 VAL 65 65 65 VAL VAL A . n A 1 66 LYS 66 66 66 LYS LYS A . n A 1 67 TRP 67 67 67 TRP TRP A . n A 1 68 GLU 68 68 68 GLU GLU A . n A 1 69 PRO 69 69 69 PRO PRO A . n A 1 70 TYR 70 70 70 TYR TYR A . n A 1 71 SER 71 71 71 SER SER A . n A 1 72 PRO 72 72 72 PRO PRO A . n A 1 73 LEU 73 73 73 LEU LEU A . n A 1 74 LEU 74 74 74 LEU LEU A . n A 1 75 ARG 75 75 75 ARG ARG A . n A 1 76 VAL 76 76 76 VAL VAL A . n A 1 77 LYS 77 77 77 LYS LYS A . n A 1 78 ALA 78 78 78 ALA ALA A . n A 1 79 SER 79 79 79 SER SER A . n A 1 80 ASP 80 80 80 ASP ASP A . n A 1 81 TYR 81 81 81 TYR TYR A . n A 1 82 VAL 82 82 82 VAL VAL A . n A 1 83 ARG 83 83 83 ARG ARG A . n A 1 84 ASP 84 84 84 ASP ASP A . n A 1 85 ASN 85 85 85 ASN ASN A . n A 1 86 LEU 86 86 86 LEU LEU A . n A 1 87 GLY 87 87 87 GLY GLY A . n A 1 88 ALA 88 88 88 ALA ALA A . n A 1 89 LYS 89 89 89 LYS LYS A . n A 1 90 PRO 90 90 90 PRO PRO A . n A 1 91 ASP 91 91 91 ASP ASP A . n A 1 92 TYR 92 92 92 TYR TYR A . n A 1 93 PHE 93 93 93 PHE PHE A . n A 1 94 ILE 94 94 94 ILE ILE A . n A 1 95 ARG 95 95 95 ARG ARG A . n A 1 96 THR 96 96 96 THR THR A . n A 1 97 TYR 97 97 97 TYR TYR A . n A 1 98 ASP 98 98 98 ASP ASP A . n A 1 99 ASN 99 99 99 ASN ASN A . n A 1 100 ASP 100 100 100 ASP ASP A . n A 1 101 PHE 101 101 101 PHE PHE A . n A 1 102 LEU 102 102 102 LEU LEU A . n A 1 103 LEU 103 103 103 LEU LEU A . n A 1 104 LEU 104 104 104 LEU LEU A . n A 1 105 SER 105 105 105 SER SER A . n A 1 106 ASP 106 106 106 ASP ASP A . n A 1 107 LEU 107 107 107 LEU LEU A . n A 1 108 LYS 108 108 108 LYS LYS A . n A 1 109 GLU 109 109 109 GLU GLU A . n A 1 110 VAL 110 110 110 VAL VAL A . n A 1 111 ARG 111 111 111 ARG ARG A . n A 1 112 SER 112 112 112 SER SER A . n A 1 113 THR 113 113 113 THR THR A . n A 1 114 CYS 114 114 114 CYS CYS A . n A 1 115 SER 115 115 115 SER SER A . n A 1 116 LEU 116 116 116 LEU LEU A . n A 1 117 TRP 117 117 117 TRP TRP A . n A 1 118 VAL 118 118 118 VAL VAL A . n A 1 119 THR 119 119 119 THR THR A . n A 1 120 LEU 120 120 120 LEU LEU A . n A 1 121 LYS 121 121 121 LYS LYS A . n A 1 122 TYR 122 122 122 TYR TYR A . n A 1 123 VAL 123 123 123 VAL VAL A . n A 1 124 ASP 124 124 124 ASP ASP A . n A 1 125 ARG 125 125 125 ARG ARG A . n A 1 126 ILE 126 126 126 ILE ILE A . n A 1 127 PRO 127 127 127 PRO PRO A . n A 1 128 GLU 128 128 128 GLU GLU A . n A 1 129 THR 129 129 129 THR THR A . n A 1 130 ILE 130 130 130 ILE ILE A . n A 1 131 ASN 131 131 131 ASN ASN A . n A 1 132 ARG 132 132 132 ARG ARG A . n A 1 133 THR 133 133 133 THR THR A . n A 1 134 PHE 134 134 134 PHE PHE A . n A 1 135 TYR 135 135 135 TYR TYR A . n A 1 136 THR 136 136 136 THR THR A . n A 1 137 ILE 137 137 137 ILE ILE A . n A 1 138 CYS 138 138 138 CYS CYS A . n A 1 139 PRO 139 139 139 PRO PRO A . n A 1 140 ASP 140 140 140 ASP ASP A . n A 1 141 PRO 141 141 141 PRO PRO A . n A 1 142 VAL 142 142 142 VAL VAL A . n A 1 143 PRO 143 143 143 PRO PRO A . n A 1 144 VAL 144 144 144 VAL VAL A . n A 1 145 PRO 145 145 145 PRO PRO A . n A 1 146 PHE 146 146 146 PHE PHE A . n A 1 147 ASP 147 147 147 ASP ASP A . n A 1 148 GLU 148 148 148 GLU GLU A . n A 1 149 ARG 149 149 149 ARG ARG A . n A 1 150 CYS 150 150 150 CYS CYS A . n A 1 151 TYR 151 151 151 TYR TYR A . n A 1 152 PRO 152 152 152 PRO PRO A . n A 1 153 GLY 153 153 153 GLY GLY A . n A 1 154 GLY 154 154 154 GLY GLY A . n A 1 155 HIS 155 155 ? ? ? A . n A 1 156 HIS 156 156 ? ? ? A . n A 1 157 HIS 157 157 ? ? ? A . n A 1 158 HIS 158 158 ? ? ? A . n A 1 159 HIS 159 159 ? ? ? A . n A 1 160 HIS 160 160 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 CLR 1 575 575 CLR CLR A . C 3 MPD 1 576 576 MPD MPD A . D 3 MPD 1 577 577 MPD MPD A . E 4 IMD 1 579 579 IMD IMD A . F 4 IMD 1 582 582 IMD IMD A . G 3 MPD 1 586 586 MPD MPD A . H 3 MPD 1 587 587 MPD MPD A . I 4 IMD 1 589 589 IMD IMD A . J 5 NAG 1 1035 1035 NAG NAG A . K 5 NAG 1 1131 1131 NAG NAG A . L 6 FUC 2 1132 1132 FUC FUC A . M 5 NAG 3 1133 1133 NAG NAG A . N 7 MAN 4 1134 1134 MAN MAN A . O 8 HOH 1 2001 2001 HOH HOH A . O 8 HOH 2 2002 2002 HOH HOH A . O 8 HOH 3 2003 2003 HOH HOH A . O 8 HOH 4 2004 2004 HOH HOH A . O 8 HOH 5 2005 2005 HOH HOH A . O 8 HOH 6 2006 2006 HOH HOH A . O 8 HOH 7 2007 2007 HOH HOH A . O 8 HOH 8 2008 2008 HOH HOH A . O 8 HOH 9 2009 2009 HOH HOH A . O 8 HOH 10 2010 2010 HOH HOH A . O 8 HOH 11 2011 2011 HOH HOH A . O 8 HOH 12 2012 2012 HOH HOH A . O 8 HOH 13 2013 2013 HOH HOH A . O 8 HOH 14 2014 2014 HOH HOH A . O 8 HOH 15 2015 2015 HOH HOH A . O 8 HOH 16 2016 2016 HOH HOH A . O 8 HOH 17 2017 2017 HOH HOH A . O 8 HOH 18 2018 2018 HOH HOH A . O 8 HOH 19 2019 2019 HOH HOH A . O 8 HOH 20 2020 2020 HOH HOH A . O 8 HOH 21 2021 2021 HOH HOH A . O 8 HOH 22 2022 2022 HOH HOH A . O 8 HOH 23 2023 2023 HOH HOH A . O 8 HOH 24 2024 2024 HOH HOH A . O 8 HOH 25 2025 2025 HOH HOH A . O 8 HOH 26 2026 2026 HOH HOH A . O 8 HOH 27 2027 2027 HOH HOH A . O 8 HOH 28 2028 2028 HOH HOH A . O 8 HOH 29 2029 2029 HOH HOH A . O 8 HOH 30 2030 2030 HOH HOH A . O 8 HOH 31 2031 2031 HOH HOH A . O 8 HOH 32 2032 2032 HOH HOH A . O 8 HOH 33 2033 2033 HOH HOH A . O 8 HOH 34 2034 2034 HOH HOH A . O 8 HOH 35 2035 2035 HOH HOH A . O 8 HOH 36 2036 2036 HOH HOH A . O 8 HOH 37 2037 2037 HOH HOH A . O 8 HOH 38 2038 2038 HOH HOH A . O 8 HOH 39 2039 2039 HOH HOH A . O 8 HOH 40 2040 2040 HOH HOH A . O 8 HOH 41 2041 2041 HOH HOH A . O 8 HOH 42 2042 2042 HOH HOH A . O 8 HOH 43 2043 2043 HOH HOH A . O 8 HOH 44 2044 2044 HOH HOH A . O 8 HOH 45 2045 2045 HOH HOH A . O 8 HOH 46 2046 2046 HOH HOH A . O 8 HOH 47 2047 2047 HOH HOH A . O 8 HOH 48 2048 2048 HOH HOH A . O 8 HOH 49 2049 2049 HOH HOH A . O 8 HOH 50 2050 2050 HOH HOH A . O 8 HOH 51 2051 2051 HOH HOH A . O 8 HOH 52 2052 2052 HOH HOH A . O 8 HOH 53 2053 2053 HOH HOH A . O 8 HOH 54 2054 2054 HOH HOH A . O 8 HOH 55 2055 2055 HOH HOH A . O 8 HOH 56 2056 2056 HOH HOH A . O 8 HOH 57 2057 2057 HOH HOH A . O 8 HOH 58 2058 2058 HOH HOH A . O 8 HOH 59 2059 2059 HOH HOH A . O 8 HOH 60 2060 2060 HOH HOH A . O 8 HOH 61 2061 2061 HOH HOH A . O 8 HOH 62 2062 2062 HOH HOH A . O 8 HOH 63 2063 2063 HOH HOH A . O 8 HOH 64 2064 2064 HOH HOH A . O 8 HOH 65 2065 2065 HOH HOH A . O 8 HOH 66 2066 2066 HOH HOH A . O 8 HOH 67 2067 2067 HOH HOH A . O 8 HOH 68 2068 2068 HOH HOH A . O 8 HOH 69 2069 2069 HOH HOH A . O 8 HOH 70 2070 2070 HOH HOH A . O 8 HOH 71 2071 2071 HOH HOH A . O 8 HOH 72 2072 2072 HOH HOH A . O 8 HOH 73 2073 2073 HOH HOH A . O 8 HOH 74 2074 2074 HOH HOH A . O 8 HOH 75 2075 2075 HOH HOH A . O 8 HOH 76 2076 2076 HOH HOH A . O 8 HOH 77 2077 2077 HOH HOH A . O 8 HOH 78 2078 2078 HOH HOH A . O 8 HOH 79 2079 2079 HOH HOH A . O 8 HOH 80 2080 2080 HOH HOH A . O 8 HOH 81 2081 2081 HOH HOH A . O 8 HOH 82 2082 2082 HOH HOH A . O 8 HOH 83 2083 2083 HOH HOH A . O 8 HOH 84 2084 2084 HOH HOH A . O 8 HOH 85 2085 2085 HOH HOH A . O 8 HOH 86 2086 2086 HOH HOH A . O 8 HOH 87 2087 2087 HOH HOH A . O 8 HOH 88 2088 2088 HOH HOH A . O 8 HOH 89 2089 2089 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 35 A ASN 35 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 131 A ASN 131 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2014-05-28 2 'Structure model' 2 0 2017-12-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Atomic model' 2 2 'Structure model' 'Database references' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' atom_site 2 2 'Structure model' citation 3 2 'Structure model' citation_author # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_atom_site.B_iso_or_equiv' 2 2 'Structure model' '_atom_site.Cartn_x' 3 2 'Structure model' '_atom_site.Cartn_y' 4 2 'Structure model' '_atom_site.Cartn_z' 5 2 'Structure model' '_citation.country' 6 2 'Structure model' '_citation.journal_abbrev' 7 2 'Structure model' '_citation.journal_id_CSD' 8 2 'Structure model' '_citation.journal_id_ISSN' 9 2 'Structure model' '_citation.journal_volume' 10 2 'Structure model' '_citation.page_first' 11 2 'Structure model' '_citation.page_last' 12 2 'Structure model' '_citation.pdbx_database_id_DOI' 13 2 'Structure model' '_citation.pdbx_database_id_PubMed' 14 2 'Structure model' '_citation.title' 15 2 'Structure model' '_citation.year' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal BUSTER refinement 2.11.4 ? 1 XDS 'data reduction' . ? 2 SCALA 'data scaling' . ? 3 PHASER phasing . ? 4 # _pdbx_database_remark.id 700 _pdbx_database_remark.text ; SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. ; # _pdbx_entry_details.entry_id 4BOE _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ;RESIDUES 1-24 OF THE UNIPROT ENTRY ARE A LEADER SECRETION SEQUENCE GGHHHHHH AT THE CTERM ARE FROM HIS-TAGGING ; # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 H2 _pdbx_validate_close_contact.auth_asym_id_1 A _pdbx_validate_close_contact.auth_comp_id_1 THR _pdbx_validate_close_contact.auth_seq_id_1 1 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 O _pdbx_validate_close_contact.auth_asym_id_2 A _pdbx_validate_close_contact.auth_comp_id_2 HOH _pdbx_validate_close_contact.auth_seq_id_2 2001 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 1.50 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 H1 _pdbx_validate_symm_contact.auth_asym_id_1 A _pdbx_validate_symm_contact.auth_comp_id_1 THR _pdbx_validate_symm_contact.auth_seq_id_1 1 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 O _pdbx_validate_symm_contact.auth_asym_id_2 A _pdbx_validate_symm_contact.auth_comp_id_2 HOH _pdbx_validate_symm_contact.auth_seq_id_2 2088 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 7_555 _pdbx_validate_symm_contact.dist 1.48 # _pdbx_validate_torsion.id 1 _pdbx_validate_torsion.PDB_model_num 1 _pdbx_validate_torsion.auth_comp_id ARG _pdbx_validate_torsion.auth_asym_id A _pdbx_validate_torsion.auth_seq_id 125 _pdbx_validate_torsion.PDB_ins_code ? _pdbx_validate_torsion.label_alt_id ? _pdbx_validate_torsion.phi -161.79 _pdbx_validate_torsion.psi 100.41 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A HIS 155 ? A HIS 155 2 1 Y 1 A HIS 156 ? A HIS 156 3 1 Y 1 A HIS 157 ? A HIS 157 4 1 Y 1 A HIS 158 ? A HIS 158 5 1 Y 1 A HIS 159 ? A HIS 159 6 1 Y 1 A HIS 160 ? A HIS 160 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 CHOLESTEROL CLR 3 '(4S)-2-METHYL-2,4-PENTANEDIOL' MPD 4 IMIDAZOLE IMD 5 N-ACETYL-D-GLUCOSAMINE NAG 6 ALPHA-L-FUCOSE FUC 7 ALPHA-D-MANNOSE MAN 8 water HOH #